smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009983710 1067931943 /nfs/dbraw/zinc/93/19/43/1067931943.db2.gz DXUNBWUDOMTRBF-SFHVURJKSA-N 1 1 483.591 -0.305 20 0 JBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009983715 1067931985 /nfs/dbraw/zinc/93/19/85/1067931985.db2.gz DXUNBWUDOMTRBF-GOSISDBHSA-N 1 1 483.591 -0.305 20 0 JBADMO O=C(CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000010095944 1068979797 /nfs/dbraw/zinc/97/97/97/1068979797.db2.gz SSJVXEYIIGGFCG-UHFFFAOYSA-N 1 1 450.540 -0.861 20 0 JBADMO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CC[NH+](CC(N)=O)CC1)n2C ZINC000010657222 1069438221 /nfs/dbraw/zinc/43/82/21/1069438221.db2.gz GZLLONOHMLNMBG-UHFFFAOYSA-N 1 1 450.565 -0.178 20 0 JBADMO NC(=O)C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000010922399 1068982476 /nfs/dbraw/zinc/98/24/76/1068982476.db2.gz UEHPLLMAALNERY-UHFFFAOYSA-N 1 1 466.560 -0.076 20 0 JBADMO Nc1c(N(CCO)C(=S)NCCC[NH+]2CCOCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000011037832 1069441971 /nfs/dbraw/zinc/44/19/71/1069441971.db2.gz BKVDHZZADIXNFU-UHFFFAOYSA-N 1 1 462.576 -0.437 20 0 JBADMO Nc1c(N(CCCO)C(=S)NCCC[NH+]2CCOCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000011038778 1068984641 /nfs/dbraw/zinc/98/46/41/1068984641.db2.gz CFDRENURBJBWAS-UHFFFAOYSA-N 1 1 476.603 -0.047 20 0 JBADMO Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CC[NH+](Cc3ccccc3)CC1)c(=O)n2C ZINC000011394732 1068987419 /nfs/dbraw/zinc/98/74/19/1068987419.db2.gz ISWJQLIHPTZJLZ-UHFFFAOYSA-N 1 1 454.487 -0.679 20 0 JBADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000011416971 1068345629 /nfs/dbraw/zinc/34/56/29/1068345629.db2.gz UWNCWSKNALKEPS-UHFFFAOYSA-N 1 1 459.547 -0.269 20 0 JBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CC[NH+](CC(N)=O)CC3)CC2)cc1 ZINC000014482601 1068997049 /nfs/dbraw/zinc/99/70/49/1068997049.db2.gz DFNNVLSLYNVSQV-UHFFFAOYSA-N 1 1 479.603 -0.326 20 0 JBADMO Cn1c2ncn(CC(=O)OCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2c(=O)n(C)c1=O ZINC000014674914 1068997684 /nfs/dbraw/zinc/99/76/84/1068997684.db2.gz WYGMKBPWWKQXBN-UHFFFAOYSA-N 1 1 476.534 -0.872 20 0 JBADMO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000015153148 1068998403 /nfs/dbraw/zinc/99/84/03/1068998403.db2.gz CGWNYIYKLJKDOW-UHFFFAOYSA-N 1 1 491.661 -0.763 20 0 JBADMO Cn1c2ncn(CC(=O)OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000016207024 1067634962 /nfs/dbraw/zinc/63/49/62/1067634962.db2.gz NXLJNYJCWLWICB-UHFFFAOYSA-N 1 1 454.487 -0.679 20 0 JBADMO O=C(NNC(=S)NCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000016219646 1069098080 /nfs/dbraw/zinc/09/80/80/1069098080.db2.gz TUKBSAALPZDWDW-UHFFFAOYSA-N 1 1 471.605 -0.461 20 0 JBADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000016439979 1067670159 /nfs/dbraw/zinc/67/01/59/1067670159.db2.gz PKOQUDIIESPKPZ-HXUWFJFHSA-N 1 1 457.575 -0.105 20 0 JBADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000016439981 1067670419 /nfs/dbraw/zinc/67/04/19/1067670419.db2.gz PKOQUDIIESPKPZ-FQEVSTJZSA-N 1 1 457.575 -0.105 20 0 JBADMO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017819011 1069099150 /nfs/dbraw/zinc/09/91/50/1069099150.db2.gz KQFOLMRAOCVJMX-GASCZTMLSA-N 1 1 469.564 -0.088 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000018470764 1069006264 /nfs/dbraw/zinc/00/62/64/1069006264.db2.gz PHQYUJAUHJJPIK-LBPRGKRZSA-N 1 1 471.356 -0.331 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000018470766 1069006525 /nfs/dbraw/zinc/00/65/25/1069006525.db2.gz PHQYUJAUHJJPIK-GFCCVEGCSA-N 1 1 471.356 -0.331 20 0 JBADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1 ZINC000018780910 1069099281 /nfs/dbraw/zinc/09/92/81/1069099281.db2.gz UNTGLDXBZUASKC-UHFFFAOYSA-N 1 1 468.514 -0.370 20 0 JBADMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000018898763 1069099838 /nfs/dbraw/zinc/09/98/38/1069099838.db2.gz VRGVMDQFXCHQBO-UHFFFAOYSA-N 1 1 454.553 -0.259 20 0 JBADMO CCCCN(C(=O)CN1CC[NH+](CCO)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022944561 1068368742 /nfs/dbraw/zinc/36/87/42/1068368742.db2.gz FZPSYWNOCQQEFG-UHFFFAOYSA-N 1 1 458.563 -0.090 20 0 JBADMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(CC(=O)NCc3ccccc3)CC1)c(=O)n2C ZINC000022956061 1068368523 /nfs/dbraw/zinc/36/85/23/1068368523.db2.gz SUMIWVUITKGOKJ-UHFFFAOYSA-N 1 1 453.547 -0.242 20 0 JBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000023183143 1068395709 /nfs/dbraw/zinc/39/57/09/1068395709.db2.gz JXSVQYAEVZVFBN-MRXNPFEDSA-N 1 1 463.564 -0.730 20 0 JBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000023183146 1067680722 /nfs/dbraw/zinc/68/07/22/1067680722.db2.gz JXSVQYAEVZVFBN-INIZCTEOSA-N 1 1 463.564 -0.730 20 0 JBADMO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000023895250 1068369187 /nfs/dbraw/zinc/36/91/87/1068369187.db2.gz GFYNFIUSFUXXGP-UHFFFAOYSA-N 1 1 489.602 -0.215 20 0 JBADMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000023895603 1068369264 /nfs/dbraw/zinc/36/92/64/1068369264.db2.gz LVSSIQSKKUIXEA-UHFFFAOYSA-N 1 1 470.578 -0.034 20 0 JBADMO CCCCn1c(N)c(N(CC)C(=O)CN2CCC[N@@H+](CC(=O)N(C)C)CC2)c(=O)[nH]c1=O ZINC000024677620 1069684435 /nfs/dbraw/zinc/68/44/35/1069684435.db2.gz PCYGQDFDKCABCM-UHFFFAOYSA-N 1 1 451.572 -0.632 20 0 JBADMO CCCCn1c(N)c(N(CC)C(=O)CN2CCC[N@H+](CC(=O)N(C)C)CC2)c(=O)[nH]c1=O ZINC000024677620 1069684431 /nfs/dbraw/zinc/68/44/31/1069684431.db2.gz PCYGQDFDKCABCM-UHFFFAOYSA-N 1 1 451.572 -0.632 20 0 JBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000024793749 1068373236 /nfs/dbraw/zinc/37/32/36/1068373236.db2.gz HDCLGGFXRLMOED-UHFFFAOYSA-N 1 1 487.586 -0.461 20 0 JBADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 ZINC000025227709 1068376115 /nfs/dbraw/zinc/37/61/15/1068376115.db2.gz GKWBALPQVUCCTN-UHFFFAOYSA-N 1 1 484.575 -0.335 20 0 JBADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000025230218 1068376012 /nfs/dbraw/zinc/37/60/12/1068376012.db2.gz MVIKSOWXOWFWPG-AWEZNQCLSA-N 1 1 454.549 -0.159 20 0 JBADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000025230742 1068375933 /nfs/dbraw/zinc/37/59/33/1068375933.db2.gz RFCQJNZLPUTNAY-UHFFFAOYSA-N 1 1 465.576 -0.520 20 0 JBADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 ZINC000025232374 1068375844 /nfs/dbraw/zinc/37/58/44/1068375844.db2.gz FHSUCNLVAWPSQZ-UHFFFAOYSA-N 1 1 454.549 -0.344 20 0 JBADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(C(=O)N3CCOCC3)CC2)cc1 ZINC000025937936 1069685280 /nfs/dbraw/zinc/68/52/80/1069685280.db2.gz BGKBGUHWIWXGEL-UHFFFAOYSA-N 1 1 453.565 -0.547 20 0 JBADMO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000025950625 1068376453 /nfs/dbraw/zinc/37/64/53/1068376453.db2.gz HKQIUBYFHZAFBW-UHFFFAOYSA-N 1 1 451.593 -0.377 20 0 JBADMO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000025950625 1068376433 /nfs/dbraw/zinc/37/64/33/1068376433.db2.gz HKQIUBYFHZAFBW-UHFFFAOYSA-N 1 1 451.593 -0.377 20 0 JBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000025951720 1068376854 /nfs/dbraw/zinc/37/68/54/1068376854.db2.gz FDOAEEYQRXRXOH-UHFFFAOYSA-N 1 1 496.634 -0.246 20 0 JBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000025951720 1068376838 /nfs/dbraw/zinc/37/68/38/1068376838.db2.gz FDOAEEYQRXRXOH-UHFFFAOYSA-N 1 1 496.634 -0.246 20 0 JBADMO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000025952164 1068376795 /nfs/dbraw/zinc/37/67/95/1068376795.db2.gz YDJMPIJKKMNMDT-UHFFFAOYSA-N 1 1 469.594 -0.358 20 0 JBADMO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000025952164 1068376782 /nfs/dbraw/zinc/37/67/82/1068376782.db2.gz YDJMPIJKKMNMDT-UHFFFAOYSA-N 1 1 469.594 -0.358 20 0 JBADMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)C[C@@H](C)O1 ZINC000026193068 1067725342 /nfs/dbraw/zinc/72/53/42/1067725342.db2.gz GSMZISWBVOPWJZ-HZPDHXFCSA-N 1 1 489.620 -0.366 20 0 JBADMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)C[C@H](C)O1 ZINC000026193071 1067725391 /nfs/dbraw/zinc/72/53/91/1067725391.db2.gz GSMZISWBVOPWJZ-IYBDPMFKSA-N 1 1 489.620 -0.366 20 0 JBADMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)C[C@H](C)O1 ZINC000026193077 1067725244 /nfs/dbraw/zinc/72/52/44/1067725244.db2.gz GSMZISWBVOPWJZ-HOTGVXAUSA-N 1 1 489.620 -0.366 20 0 JBADMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)C[C@@H](C)O1 ZINC000026194637 1068127475 /nfs/dbraw/zinc/12/74/75/1068127475.db2.gz PXORZHQPTPXLCW-RTBURBONSA-N 1 1 481.623 -0.513 20 0 JBADMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)C[C@H](C)O1 ZINC000026194640 1068127487 /nfs/dbraw/zinc/12/74/87/1068127487.db2.gz PXORZHQPTPXLCW-KDURUIRLSA-N 1 1 481.623 -0.513 20 0 JBADMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)C[C@H](C)O1 ZINC000026194645 1068127552 /nfs/dbraw/zinc/12/75/52/1068127552.db2.gz PXORZHQPTPXLCW-OALUTQOASA-N 1 1 481.623 -0.513 20 0 JBADMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000026257423 1068396401 /nfs/dbraw/zinc/39/64/01/1068396401.db2.gz ZKDUZEDYKFVUFM-UHFFFAOYSA-N 1 1 451.593 -0.475 20 0 JBADMO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000026335331 1068376530 /nfs/dbraw/zinc/37/65/30/1068376530.db2.gz KTPCETOTIUBJLF-UHFFFAOYSA-N 1 1 453.609 -0.131 20 0 JBADMO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000026335331 1068376508 /nfs/dbraw/zinc/37/65/08/1068376508.db2.gz KTPCETOTIUBJLF-UHFFFAOYSA-N 1 1 453.609 -0.131 20 0 JBADMO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000026335860 1068376692 /nfs/dbraw/zinc/37/66/92/1068376692.db2.gz RSJULDQJSRBJGJ-UHFFFAOYSA-N 1 1 471.610 -0.112 20 0 JBADMO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000026335860 1068376675 /nfs/dbraw/zinc/37/66/75/1068376675.db2.gz RSJULDQJSRBJGJ-UHFFFAOYSA-N 1 1 471.610 -0.112 20 0 JBADMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000027221861 1068377229 /nfs/dbraw/zinc/37/72/29/1068377229.db2.gz UWXXIFFHYUKTPE-OAQYLSRUSA-N 1 1 473.618 0.000 20 0 JBADMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000027221864 1068377632 /nfs/dbraw/zinc/37/76/32/1068377632.db2.gz UWXXIFFHYUKTPE-NRFANRHFSA-N 1 1 473.618 0.000 20 0 JBADMO Cn1c2ncn(CCC(=O)NCC[NH+]3CCN(c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000027613621 1068378235 /nfs/dbraw/zinc/37/82/35/1068378235.db2.gz MDMPTVBPFCHKLX-UHFFFAOYSA-N 1 1 457.510 -0.099 20 0 JBADMO 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1070684192 /nfs/dbraw/zinc/68/41/92/1070684192.db2.gz LOBLNVKJVQANFK-UXHICEINSA-N 1 1 468.624 -0.045 20 0 JBADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849496844 1070684260 /nfs/dbraw/zinc/68/42/60/1070684260.db2.gz LOBLNVKJVQANFK-VQTJNVASSA-N 1 1 468.624 -0.045 20 0 JBADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849496846 1070684070 /nfs/dbraw/zinc/68/40/70/1070684070.db2.gz LOBLNVKJVQANFK-WOJBJXKFSA-N 1 1 468.624 -0.045 20 0 JBADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497438 1070684272 /nfs/dbraw/zinc/68/42/72/1070684272.db2.gz OBRJOQLKYBVHNQ-LEWJYISDSA-N 1 1 481.667 -0.130 20 0 JBADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497439 1070684172 /nfs/dbraw/zinc/68/41/72/1070684172.db2.gz OBRJOQLKYBVHNQ-NHCUHLMSSA-N 1 1 481.667 -0.130 20 0 JBADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497440 1070684030 /nfs/dbraw/zinc/68/40/30/1070684030.db2.gz OBRJOQLKYBVHNQ-RTWAWAEBSA-N 1 1 481.667 -0.130 20 0 JBADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497441 1070684233 /nfs/dbraw/zinc/68/42/33/1070684233.db2.gz OBRJOQLKYBVHNQ-SFTDATJTSA-N 1 1 481.667 -0.130 20 0 JBADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cn1 ZINC000849498560 1070683960 /nfs/dbraw/zinc/68/39/60/1070683960.db2.gz SDGVONXAODWEQZ-MOPGFXCFSA-N 1 1 453.613 -0.908 20 0 JBADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cn1 ZINC000849498566 1070684216 /nfs/dbraw/zinc/68/42/16/1070684216.db2.gz SDGVONXAODWEQZ-OALUTQOASA-N 1 1 453.613 -0.908 20 0 JBADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cn1 ZINC000849498567 1070684110 /nfs/dbraw/zinc/68/41/10/1070684110.db2.gz SDGVONXAODWEQZ-RBUKOAKNSA-N 1 1 453.613 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1068985595 /nfs/dbraw/zinc/98/55/95/1068985595.db2.gz QPUFTPPLQBPNOH-QGZVFWFLSA-N 1 1 455.519 -0.040 20 0 JBADMO COCCn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](CC(N)=O)CC1)c(=O)n2Cc1ccccc1 ZINC000875708717 1069012860 /nfs/dbraw/zinc/01/28/60/1069012860.db2.gz BNQDUHWLLLQMQG-UHFFFAOYSA-N 1 1 497.556 -0.880 20 0 JBADMO O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000877870392 1069014200 /nfs/dbraw/zinc/01/42/00/1069014200.db2.gz HOKVLLNKSBEFLN-UHFFFAOYSA-N 1 1 467.548 -0.349 20 0 JBADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000880192304 1069015502 /nfs/dbraw/zinc/01/55/02/1069015502.db2.gz DMIKYZKIIQXPMW-UHFFFAOYSA-N 1 1 453.565 -0.487 20 0 JBADMO NC(=O)C[NH+]1CCC(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000895542923 1067926661 /nfs/dbraw/zinc/92/66/61/1067926661.db2.gz UWUVGVDACZRQQT-UHFFFAOYSA-N 1 1 454.549 -0.028 20 0 JBADMO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000912533114 1067997117 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/nfs/dbraw/zinc/30/26/63/1069302663.db2.gz DHSVVNYSYSKMPF-IUKKYPGJSA-N 1 1 459.616 -0.268 20 0 JBADMO O=C(c1nnn2c1C[NH2+]CC2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351673 1069305853 /nfs/dbraw/zinc/30/58/53/1069305853.db2.gz BKNJLHXTDORNJU-SBUREZEXSA-N 1 1 481.561 -0.611 20 0 JBADMO O=C([C@H]1C[NH2+]Cc2ccnn21)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351852 1069305399 /nfs/dbraw/zinc/30/53/99/1069305399.db2.gz FBCQUCXLQPVGTM-NRYAXDJKSA-N 1 1 480.573 -0.079 20 0 JBADMO O=C([C@@H]1C[NH2+]Cc2ccnn21)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351853 1069305780 /nfs/dbraw/zinc/30/57/80/1069305780.db2.gz FBCQUCXLQPVGTM-WXVUKLJWSA-N 1 1 480.573 -0.079 20 0 JBADMO O=C(c1cnn2c1C[NH2+]CC2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352037 1069306215 /nfs/dbraw/zinc/30/62/15/1069306215.db2.gz HNXYEZCVNYZTRF-UUOWRZLLSA-N 1 1 480.573 -0.006 20 0 JBADMO C[C@]1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)COCC[NH2+]1 ZINC001158352110 1069306401 /nfs/dbraw/zinc/30/64/01/1069306401.db2.gz KNHUPWCVPGQHHH-NMNUPHIUSA-N 1 1 458.563 -0.241 20 0 JBADMO C[C@@]1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)COCC[NH2+]1 ZINC001158352111 1069306272 /nfs/dbraw/zinc/30/62/72/1069306272.db2.gz KNHUPWCVPGQHHH-TZYHBYERSA-N 1 1 458.563 -0.241 20 0 JBADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352276 1069306671 /nfs/dbraw/zinc/30/66/71/1069306671.db2.gz NDGNYGUIYBFUIV-BSRJHKFKSA-N 1 1 474.562 -0.339 20 0 JBADMO O=C(c1cc2n(n1)CC[NH2+]C2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352690 1069307288 /nfs/dbraw/zinc/30/72/88/1069307288.db2.gz VBSVLNDQKBQCHO-UUOWRZLLSA-N 1 1 480.573 -0.006 20 0 JBADMO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C2 ZINC001158381013 1069308282 /nfs/dbraw/zinc/30/82/82/1069308282.db2.gz ITNAIXOLKHDLLY-IGNZVWTISA-N 1 1 452.474 -0.211 20 0 JBADMO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C2 ZINC001158381015 1069307992 /nfs/dbraw/zinc/30/79/92/1069307992.db2.gz ITNAIXOLKHDLLY-JBBXEZCESA-N 1 1 452.474 -0.211 20 0 JBADMO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C2 ZINC001158381017 1069308301 /nfs/dbraw/zinc/30/83/01/1069308301.db2.gz ITNAIXOLKHDLLY-RZAIGCCYSA-N 1 1 452.474 -0.211 20 0 JBADMO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C2 ZINC001158381019 1069308261 /nfs/dbraw/zinc/30/82/61/1069308261.db2.gz ITNAIXOLKHDLLY-UYHISHBKSA-N 1 1 452.474 -0.211 20 0 JBADMO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001158479310 1069309097 /nfs/dbraw/zinc/30/90/97/1069309097.db2.gz JAQDOAXEAHCZAF-LZDTVADOSA-N 1 1 477.606 -0.388 20 0 JBADMO CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CN)CC2)CC1 ZINC001158513250 1069309703 /nfs/dbraw/zinc/30/97/03/1069309703.db2.gz LZBVCCYLDBLXCV-LPHOPBHVSA-N 1 1 465.595 -0.293 20 0 JBADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001158602480 1069310641 /nfs/dbraw/zinc/31/06/41/1069310641.db2.gz NAMXEEWORFIXSE-KXBFYZLASA-N 1 1 466.546 -0.051 20 0 JBADMO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)c3nnn4c3C[NH2+]CC4)C[C@H]2c2ccccc2)C1=O ZINC001158626432 1069310351 /nfs/dbraw/zinc/31/03/51/1069310351.db2.gz ONZONPAOWUXXSZ-GAJHUEQPSA-N 1 1 451.531 -0.072 20 0 JBADMO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)C[C@H]2c2ccccc2)C1=O ZINC001158626515 1069310501 /nfs/dbraw/zinc/31/05/01/1069310501.db2.gz QVORFBGLFNHHII-BPYKYCOYSA-N 1 1 470.618 -0.330 20 0 JBADMO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)C[C@H]2c2ccccc2)C1=O ZINC001158626516 1069310615 /nfs/dbraw/zinc/31/06/15/1069310615.db2.gz QVORFBGLFNHHII-STWLZBDKSA-N 1 1 470.618 -0.330 20 0 JBADMO CN1C[C@@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)OC2(CC[NH2+]CC2)C1 ZINC001158629372 1069310953 /nfs/dbraw/zinc/31/09/53/1069310953.db2.gz GDKCODDDQZVFKZ-FQEVSTJZSA-N 1 1 475.594 -0.398 20 0 JBADMO CN1C[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)OC2(CC[NH2+]CC2)C1 ZINC001158629374 1069311223 /nfs/dbraw/zinc/31/12/23/1069311223.db2.gz GDKCODDDQZVFKZ-HXUWFJFHSA-N 1 1 475.594 -0.398 20 0 JBADMO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158657337 1069312500 /nfs/dbraw/zinc/31/25/00/1069312500.db2.gz CBMDOMZOTPUASH-HKUYNNGSSA-N 1 1 481.513 -0.604 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158658902 1069312224 /nfs/dbraw/zinc/31/22/24/1069312224.db2.gz MOKSPLUSAWAWKQ-BBRMVZONSA-N 1 1 456.507 -0.902 20 0 JBADMO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158660504 1069312115 /nfs/dbraw/zinc/31/21/15/1069312115.db2.gz SVHKMIYHSOYDIC-HNNXBMFYSA-N 1 1 451.491 -0.029 20 0 JBADMO CC1(C)C[NH2+][C@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CO1 ZINC001158680295 1069312323 /nfs/dbraw/zinc/31/23/23/1069312323.db2.gz BZMGORSAASZERE-HRCADAONSA-N 1 1 451.549 -0.697 20 0 JBADMO [NH3+][C@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)c1ccc(O)cc1 ZINC001158680777 1069312182 /nfs/dbraw/zinc/31/21/82/1069312182.db2.gz FWTDTPTUMGSZJM-KSZLIROESA-N 1 1 459.528 -0.058 20 0 JBADMO O=C([C@H]1C[NH2+]Cc2ccnn21)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680795 1069313290 /nfs/dbraw/zinc/31/32/90/1069313290.db2.gz GJXRTFMGXGSQFS-GVDBMIGSSA-N 1 1 459.532 -0.923 20 0 JBADMO O=C([C@@H]1C[NH2+]Cc2ccnn21)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680796 1069313126 /nfs/dbraw/zinc/31/31/26/1069313126.db2.gz GJXRTFMGXGSQFS-YESZJQIVSA-N 1 1 459.532 -0.923 20 0 JBADMO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680810 1069313262 /nfs/dbraw/zinc/31/32/62/1069313262.db2.gz GYXDGZMTYILKAY-OKZBNKHCSA-N 1 1 476.603 -0.590 20 0 JBADMO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680811 1069312930 /nfs/dbraw/zinc/31/29/30/1069312930.db2.gz GYXDGZMTYILKAY-RCCFBDPRSA-N 1 1 476.603 -0.590 20 0 JBADMO [NH3+][C@@H](Cc1cscn1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681196 1069313649 /nfs/dbraw/zinc/31/36/49/1069313649.db2.gz MLFVWEUBKQHSGT-HRCADAONSA-N 1 1 464.573 -0.438 20 0 JBADMO O=C([C@@H]1Cc2cc(O)ccc2C[NH2+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681853 1069314130 /nfs/dbraw/zinc/31/41/30/1069314130.db2.gz PPQHHNPYLMEVBO-SLFFLAALSA-N 1 1 485.566 -0.044 20 0 JBADMO O=C([C@H]1Cc2cc(O)ccc2C[NH2+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681862 1069313980 /nfs/dbraw/zinc/31/39/80/1069313980.db2.gz PPQHHNPYLMEVBO-XUVXKRRUSA-N 1 1 485.566 -0.044 20 0 JBADMO CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001158683080 1069314301 /nfs/dbraw/zinc/31/43/01/1069314301.db2.gz VPPFEZJYTRCWQP-OKZBNKHCSA-N 1 1 478.619 -0.392 20 0 JBADMO CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001158683080 1069314285 /nfs/dbraw/zinc/31/42/85/1069314285.db2.gz VPPFEZJYTRCWQP-OKZBNKHCSA-N 1 1 478.619 -0.392 20 0 JBADMO CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001158683119 1069314380 /nfs/dbraw/zinc/31/43/80/1069314380.db2.gz VPPFEZJYTRCWQP-RCCFBDPRSA-N 1 1 478.619 -0.392 20 0 JBADMO CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001158683119 1069314364 /nfs/dbraw/zinc/31/43/64/1069314364.db2.gz VPPFEZJYTRCWQP-RCCFBDPRSA-N 1 1 478.619 -0.392 20 0 JBADMO O=C(c1ncn2c1C[NH2+]CC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692062 1069314980 /nfs/dbraw/zinc/31/49/80/1069314980.db2.gz ATAVEMIDKLDILN-GOEBONIOSA-N 1 1 459.532 -0.851 20 0 JBADMO CC(C)(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692824 1069314953 /nfs/dbraw/zinc/31/49/53/1069314953.db2.gz IRSLUIIHSCNXKR-HRCADAONSA-N 1 1 453.565 -0.322 20 0 JBADMO O=C(c1cc2n(n1)CC[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158693962 1069315358 /nfs/dbraw/zinc/31/53/58/1069315358.db2.gz QGWKIMKIPZHXAL-DOTOQJQBSA-N 1 1 459.532 -0.851 20 0 JBADMO NC[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001158694117 1069315630 /nfs/dbraw/zinc/31/56/30/1069315630.db2.gz RRCJVNAFBYFSPA-GBESFXJTSA-N 1 1 472.571 -0.192 20 0 JBADMO NC[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001158694124 1069315221 /nfs/dbraw/zinc/31/52/21/1069315221.db2.gz RRCJVNAFBYFSPA-IPMKNSEASA-N 1 1 472.571 -0.192 20 0 JBADMO O=C(c1noc2c1C[NH2+]CC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158695182 1069315293 /nfs/dbraw/zinc/31/52/93/1069315293.db2.gz ZHMDTQYLXRTTRK-GOEBONIOSA-N 1 1 460.516 -0.517 20 0 JBADMO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001158734504 1069316483 /nfs/dbraw/zinc/31/64/83/1069316483.db2.gz APYISRYPQBJRFS-KRWDZBQOSA-N 1 1 474.543 -0.224 20 0 JBADMO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001158735089 1069315847 /nfs/dbraw/zinc/31/58/47/1069315847.db2.gz MYMRKCHFNCLPMX-KBPBESRZSA-N 1 1 493.677 -0.073 20 0 JBADMO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001158735110 1069315926 /nfs/dbraw/zinc/31/59/26/1069315926.db2.gz NNXCSSVKEXTDHH-UHFFFAOYSA-N 1 1 497.599 -0.047 20 0 JBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001158735474 1069316451 /nfs/dbraw/zinc/31/64/51/1069316451.db2.gz UJQYMONYRRIDCA-HOTGVXAUSA-N 1 1 498.606 -0.992 20 0 JBADMO CC(C)N(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ncnc2c1CC[NH2+]CC2 ZINC001158758554 1069316839 /nfs/dbraw/zinc/31/68/39/1069316839.db2.gz AWQPVVQRBZIDDH-ICSRJNTNSA-N 1 1 456.547 -0.341 20 0 JBADMO CC(=O)NCSC[C@H](N)C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001158882498 1069319206 /nfs/dbraw/zinc/31/92/06/1069319206.db2.gz BOOQXXRXEYZJHC-KRWDZBQOSA-N 1 1 465.624 -0.103 20 0 JBADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885239 1069319725 /nfs/dbraw/zinc/31/97/25/1069319725.db2.gz TWDSRPUKAGLNSL-HKUYNNGSSA-N 1 1 460.579 -0.014 20 0 JBADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885240 1069320040 /nfs/dbraw/zinc/32/00/40/1069320040.db2.gz TWDSRPUKAGLNSL-IEBWSBKVSA-N 1 1 460.579 -0.014 20 0 JBADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885241 1069320224 /nfs/dbraw/zinc/32/02/24/1069320224.db2.gz TWDSRPUKAGLNSL-MJGOQNOKSA-N 1 1 460.579 -0.014 20 0 JBADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885242 1069320105 /nfs/dbraw/zinc/32/01/05/1069320105.db2.gz TWDSRPUKAGLNSL-PKOBYXMFSA-N 1 1 460.579 -0.014 20 0 JBADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158902348 1069320500 /nfs/dbraw/zinc/32/05/00/1069320500.db2.gz JKXAJVRLWAXCHC-BYMXYVBLSA-N 1 1 487.532 -0.173 20 0 JBADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158902358 1069320706 /nfs/dbraw/zinc/32/07/06/1069320706.db2.gz JKXAJVRLWAXCHC-JLPWOHBFSA-N 1 1 487.532 -0.173 20 0 JBADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158902361 1069321011 /nfs/dbraw/zinc/32/10/11/1069321011.db2.gz JKXAJVRLWAXCHC-UBPTVHNVSA-N 1 1 487.532 -0.173 20 0 JBADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158902364 1069320644 /nfs/dbraw/zinc/32/06/44/1069320644.db2.gz JKXAJVRLWAXCHC-VUYBDXIFSA-N 1 1 487.532 -0.173 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904430 1069320623 /nfs/dbraw/zinc/32/06/23/1069320623.db2.gz SVGWGVOQKFCEHH-FWVWUXMJSA-N 1 1 462.526 -0.471 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904434 1069320773 /nfs/dbraw/zinc/32/07/73/1069320773.db2.gz SVGWGVOQKFCEHH-JWUHVGAXSA-N 1 1 462.526 -0.471 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904436 1069320898 /nfs/dbraw/zinc/32/08/98/1069320898.db2.gz SVGWGVOQKFCEHH-RYUMIWLPSA-N 1 1 462.526 -0.471 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904438 1069320985 /nfs/dbraw/zinc/32/09/85/1069320985.db2.gz SVGWGVOQKFCEHH-XVIDLNRXSA-N 1 1 462.526 -0.471 20 0 JBADMO CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(-c1ccc3c(n1)CC[NH2+]C3)c(N)nc2=O ZINC001158981002 1069323133 /nfs/dbraw/zinc/32/31/33/1069323133.db2.gz YZBXBKZXZJJWJY-INIZCTEOSA-N 1 1 456.507 -0.294 20 0 JBADMO CN1C[C@H](C(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159090989 1069328496 /nfs/dbraw/zinc/32/84/96/1069328496.db2.gz JQINTLUXFMISKH-QEUVDIPISA-N 1 1 450.580 -0.163 20 0 JBADMO CN1C[C@@H](C(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159090990 1069328568 /nfs/dbraw/zinc/32/85/68/1069328568.db2.gz JQINTLUXFMISKH-YOUFYPILSA-N 1 1 450.580 -0.163 20 0 JBADMO COCc1[nH]nc2c1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C2 ZINC001159091607 1069328658 /nfs/dbraw/zinc/32/86/58/1069328658.db2.gz STSYLTYGBNTFGC-FNFWKMNBSA-N 1 1 454.503 -0.700 20 0 JBADMO Cn1nnc2c1CCN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123243 1069329341 /nfs/dbraw/zinc/32/93/41/1069329341.db2.gz FKZFGKCJJUSRKV-FUHWJXTLSA-N 1 1 465.599 -0.388 20 0 JBADMO Cn1nnc2c1CCN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001159123244 1069329441 /nfs/dbraw/zinc/32/94/41/1069329441.db2.gz FKZFGKCJJUSRKV-WMZOPIPTSA-N 1 1 465.599 -0.388 20 0 JBADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158971 1069332229 /nfs/dbraw/zinc/33/22/29/1069332229.db2.gz VZOYXYYHQHMOOL-SFTDATJTSA-N 1 1 470.574 -0.384 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159167164 1069331984 /nfs/dbraw/zinc/33/19/84/1069331984.db2.gz VQACZUKFFHTXBE-WTNASJBWSA-N 1 1 486.621 -0.566 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159167164 1069331973 /nfs/dbraw/zinc/33/19/73/1069331973.db2.gz VQACZUKFFHTXBE-WTNASJBWSA-N 1 1 486.621 -0.566 20 0 JBADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159180543 1069333067 /nfs/dbraw/zinc/33/30/67/1069333067.db2.gz DWLCXDYVDJIHDT-COFNMNJVSA-N 1 1 459.591 -0.017 20 0 JBADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159180543 1069333051 /nfs/dbraw/zinc/33/30/51/1069333051.db2.gz DWLCXDYVDJIHDT-COFNMNJVSA-N 1 1 459.591 -0.017 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]Cc4ccnn42)CC3)C1=O ZINC001159182489 1069334292 /nfs/dbraw/zinc/33/42/92/1069334292.db2.gz SLSUBYAVGHBJTP-JXFKEZNVSA-N 1 1 450.565 -0.740 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]Cc4ccnn42)CC3)C1=O ZINC001159182492 1069334229 /nfs/dbraw/zinc/33/42/29/1069334229.db2.gz SLSUBYAVGHBJTP-OXJNMPFZSA-N 1 1 450.565 -0.740 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]Cc4ccnn42)CC3)C1=O ZINC001159182495 1069334200 /nfs/dbraw/zinc/33/42/00/1069334200.db2.gz SLSUBYAVGHBJTP-OXQOHEQNSA-N 1 1 450.565 -0.740 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]Cc4ccnn42)CC3)C1=O ZINC001159182496 1069334061 /nfs/dbraw/zinc/33/40/61/1069334061.db2.gz SLSUBYAVGHBJTP-UZLBHIALSA-N 1 1 450.565 -0.740 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CN(C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182890 1069334007 /nfs/dbraw/zinc/33/40/07/1069334007.db2.gz WFLIKDZHDMPZSD-FDDCHVKYSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182890 1069333999 /nfs/dbraw/zinc/33/39/99/1069333999.db2.gz WFLIKDZHDMPZSD-FDDCHVKYSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CN(C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182891 1069334366 /nfs/dbraw/zinc/33/43/66/1069334366.db2.gz WFLIKDZHDMPZSD-JPYJTQIMSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182891 1069334354 /nfs/dbraw/zinc/33/43/54/1069334354.db2.gz WFLIKDZHDMPZSD-JPYJTQIMSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CN(C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182892 1069334400 /nfs/dbraw/zinc/33/44/00/1069334400.db2.gz WFLIKDZHDMPZSD-MBSDFSHPSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182892 1069334386 /nfs/dbraw/zinc/33/43/86/1069334386.db2.gz WFLIKDZHDMPZSD-MBSDFSHPSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CN(C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182893 1069334156 /nfs/dbraw/zinc/33/41/56/1069334156.db2.gz WFLIKDZHDMPZSD-WZONZLPQSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182893 1069334139 /nfs/dbraw/zinc/33/41/39/1069334139.db2.gz WFLIKDZHDMPZSD-WZONZLPQSA-N 1 1 497.662 -0.828 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2c4c(nn2C)C[NH2+]C4)CC3)C1=O ZINC001159190180 1069335533 /nfs/dbraw/zinc/33/55/33/1069335533.db2.gz IWBGSCYCRUJVJE-FQEVSTJZSA-N 1 1 450.565 -0.631 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2c4c(nn2C)C[NH2+]C4)CC3)C1=O ZINC001159190187 1069335625 /nfs/dbraw/zinc/33/56/25/1069335625.db2.gz IWBGSCYCRUJVJE-HXUWFJFHSA-N 1 1 450.565 -0.631 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@@H]([NH3+])CN)cc2)CC3)C1=O ZINC001159190189 1069335444 /nfs/dbraw/zinc/33/54/44/1069335444.db2.gz IYWIYZRSUJVRAP-AVRDEDQJSA-N 1 1 463.604 -0.009 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@H]([NH3+])CN)cc2)CC3)C1=O ZINC001159190190 1069336350 /nfs/dbraw/zinc/33/63/50/1069336350.db2.gz IYWIYZRSUJVRAP-GCJKJVERSA-N 1 1 463.604 -0.009 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@@H]([NH3+])CN)cc2)CC3)C1=O ZINC001159190192 1069335986 /nfs/dbraw/zinc/33/59/86/1069335986.db2.gz IYWIYZRSUJVRAP-PGRDOPGGSA-N 1 1 463.604 -0.009 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@H]([NH3+])CN)cc2)CC3)C1=O ZINC001159190193 1069336218 /nfs/dbraw/zinc/33/62/18/1069336218.db2.gz IYWIYZRSUJVRAP-XMSQKQJNSA-N 1 1 463.604 -0.009 20 0 JBADMO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cnn3c1nccc3[C@H]1CNCCO1)CC2 ZINC001159191097 1069336918 /nfs/dbraw/zinc/33/69/18/1069336918.db2.gz BPDWJWHYZFROHR-GOSISDBHSA-N 1 1 468.518 -0.132 20 0 JBADMO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cnn3c1nccc3[C@@H]1CNCCO1)CC2 ZINC001159191098 1069336661 /nfs/dbraw/zinc/33/66/61/1069336661.db2.gz BPDWJWHYZFROHR-SFHVURJKSA-N 1 1 468.518 -0.132 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2n[nH]c4c2C[NH2+]CC4)CC3)C1=O ZINC001159191178 1069336786 /nfs/dbraw/zinc/33/67/86/1069336786.db2.gz RGCPOGNRTSQUKU-FQEVSTJZSA-N 1 1 450.565 -0.599 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2n[nH]c4c2C[NH2+]CC4)CC3)C1=O ZINC001159191179 1069336968 /nfs/dbraw/zinc/33/69/68/1069336968.db2.gz RGCPOGNRTSQUKU-HXUWFJFHSA-N 1 1 450.565 -0.599 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cnn4c2C[NH2+]CC4)CC3)C1=O ZINC001159191652 1069337272 /nfs/dbraw/zinc/33/72/72/1069337272.db2.gz WPLWEVLBMSOQTN-FQEVSTJZSA-N 1 1 450.565 -0.668 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cnn4c2C[NH2+]CC4)CC3)C1=O ZINC001159191653 1069337441 /nfs/dbraw/zinc/33/74/41/1069337441.db2.gz WPLWEVLBMSOQTN-HXUWFJFHSA-N 1 1 450.565 -0.668 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cc4n(n2)CC[NH2+]C4)CC3)C1=O 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LQLNVNMTCGBXPC-IWCJZZDYSA-N 1 1 452.899 -0.024 20 0 JBADMO COC(=O)c1cc(Cl)ncc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088013 1069379172 /nfs/dbraw/zinc/37/91/72/1069379172.db2.gz MTQVIYSYLNAYEL-ICGCDAGXSA-N 1 1 461.809 -0.182 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc4ccccc4nc3N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088016 1069379330 /nfs/dbraw/zinc/37/93/30/1069379330.db2.gz NAEQUIHLKULBCA-WVSUBDOOSA-N 1 1 455.475 -0.821 20 0 JBADMO COC(=O)c1cc2c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)[nH]c(Cl)cc-2n1 ZINC001160088018 1069379468 /nfs/dbraw/zinc/37/94/68/1069379468.db2.gz NAUYBTCSOQNQQD-DSPGLSBSSA-N 1 1 450.839 -0.285 20 0 JBADMO CCN(CC)C(=O)c1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160088030 1069379305 /nfs/dbraw/zinc/37/93/05/1069379305.db2.gz NIXUVCDLJIRQIJ-NFBAFIMDSA-N 1 1 452.899 -0.071 20 0 JBADMO COC(=O)c1cc2c(nc(Cl)nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH]1 ZINC001160088047 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[NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3CCN(Cc3ccccc3)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088367 1069379133 /nfs/dbraw/zinc/37/91/33/1069379133.db2.gz VDYWJQYZZAKQQT-JWUVWSEFSA-N 1 1 465.514 -0.253 20 0 JBADMO COC(=O)c1ccc(C(F)(F)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Cl)n1 ZINC001160088431 1069379541 /nfs/dbraw/zinc/37/95/41/1069379541.db2.gz YBMGOLZGGNSZEM-XIDUGBJDSA-N 1 1 461.809 -0.182 20 0 JBADMO COc1ccc(Cn2cc3[nH]c(Nc4ccn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5[NH3+])c(=O)n4)ccc-3c2=O)cc1 ZINC001160092287 1069379348 /nfs/dbraw/zinc/37/93/48/1069379348.db2.gz AJIYLAMFEXQVSF-XMXZMMKCSA-N 1 1 494.508 -0.041 20 0 JBADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160092305 1069379117 /nfs/dbraw/zinc/37/91/17/1069379117.db2.gz BCXJNIQZGQIFLK-DNNBLBMLSA-N 1 1 476.490 -0.435 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc(C(=O)Nc4nncs4)cc3Cl)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092321 1069379411 /nfs/dbraw/zinc/37/94/11/1069379411.db2.gz BPTAGQFWXUSETA-SDBHATRESA-N 1 1 480.894 -0.449 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(N4CCN(c5ccccc5)CC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092325 1069379440 /nfs/dbraw/zinc/37/94/40/1069379440.db2.gz BXSGPHXULNGERL-XUFNMVPLSA-N 1 1 480.529 -0.484 20 0 JBADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160092333 1069379927 /nfs/dbraw/zinc/37/99/27/1069379927.db2.gz COUUVPWATGZDGT-CGHXNFDQSA-N 1 1 468.536 -0.739 20 0 JBADMO CCC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160092334 1069379984 /nfs/dbraw/zinc/37/99/84/1069379984.db2.gz COUUVPWATGZDGT-HFQCNWJOSA-N 1 1 468.536 -0.739 20 0 JBADMO COC(=O)c1cnc(Cl)c(C(F)(F)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160092343 1069380003 /nfs/dbraw/zinc/38/00/03/1069380003.db2.gz DBDSMWBMOAOKRY-XIDUGBJDSA-N 1 1 461.809 -0.182 20 0 JBADMO COC(=O)c1c[nH]c2nc(Cl)nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c12 ZINC001160092511 1069380140 /nfs/dbraw/zinc/38/01/40/1069380140.db2.gz HKDVFUOWLQOZOZ-FRJWGUMJSA-N 1 1 451.827 -0.890 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3C(=O)N3CCc4ccccc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092566 1069380163 /nfs/dbraw/zinc/38/01/63/1069380163.db2.gz JSKORYWSVLBIAN-WGQQHEPDSA-N 1 1 464.482 -0.003 20 0 JBADMO COC(=O)c1cc2c(nc(Cl)nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1C ZINC001160092820 1069380032 /nfs/dbraw/zinc/38/00/32/1069380032.db2.gz MFMAPWFIUSSESG-SDBHATRESA-N 1 1 465.854 -0.879 20 0 JBADMO CC(C)N1Cc2c(nc(Cl)nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1=O ZINC001160092828 1069380196 /nfs/dbraw/zinc/38/01/96/1069380196.db2.gz MRJIBZRDZFGCPQ-NZLORHDLSA-N 1 1 451.871 -0.793 20 0 JBADMO CC(=O)Oc1cc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2cc1OC(C)=O ZINC001160092851 1069380216 /nfs/dbraw/zinc/38/02/16/1069380216.db2.gz NPENIDNLFZNNSD-DLVXIWMQSA-N 1 1 486.441 -0.807 20 0 JBADMO CCC(CC)NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160092859 1069379849 /nfs/dbraw/zinc/37/98/49/1069379849.db2.gz NWWSJBNWVCPNSZ-BNEJOLLZSA-N 1 1 468.536 -0.739 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(N4CCN(c5ccccc5)CC4)ncn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092873 1069380209 /nfs/dbraw/zinc/38/02/09/1069380209.db2.gz OMQWXVFRJKEIGU-XUFNMVPLSA-N 1 1 480.529 -0.484 20 0 JBADMO COc1ccc(CN(C)c2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)cc1 ZINC001160092988 1069379867 /nfs/dbraw/zinc/37/98/67/1069379867.db2.gz PDYPTEWKODYOJN-HUYLIWGRSA-N 1 1 469.502 -0.166 20 0 JBADMO COc1ccc(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)c(OC)c1 ZINC001160092997 1069380119 /nfs/dbraw/zinc/38/01/19/1069380119.db2.gz PMJORHWTSMGMOT-HUYLIWGRSA-N 1 1 456.459 -0.127 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(-c4ccc(N5CCOCC5)cc4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093009 1069380228 /nfs/dbraw/zinc/38/02/28/1069380228.db2.gz PZAZTAAZCQYWLA-BRKWEVRTSA-N 1 1 481.513 -0.307 20 0 JBADMO Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(NC(=O)c2ccccc2)n1 ZINC001160093054 1069379949 /nfs/dbraw/zinc/37/99/49/1069379949.db2.gz RTFSRGMQUOTNII-VVHMCBODSA-N 1 1 453.459 -0.250 20 0 JBADMO COc1ccc(OC)c(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)c1 ZINC001160093059 1069379965 /nfs/dbraw/zinc/37/99/65/1069379965.db2.gz SAANOZBFLOJOJU-HUYLIWGRSA-N 1 1 456.459 -0.127 20 0 JBADMO COC(=O)c1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c2ccccc2c1OC ZINC001160093191 1069380058 /nfs/dbraw/zinc/38/00/58/1069380058.db2.gz UVTOXQDPSUXUAM-OZSDWXKXSA-N 1 1 457.443 -0.258 20 0 JBADMO COC(=O)c1cnc(Cl)cc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160093206 1069379910 /nfs/dbraw/zinc/37/99/10/1069379910.db2.gz VLFVRDXUXDDFDX-ICGCDAGXSA-N 1 1 461.809 -0.182 20 0 JBADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160093309 1069380644 /nfs/dbraw/zinc/38/06/44/1069380644.db2.gz XLMMTJGXICEHFP-QTQZEZTPSA-N 1 1 469.502 -0.272 20 0 JBADMO CC(C)CCNS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160093327 1069380995 /nfs/dbraw/zinc/38/09/95/1069380995.db2.gz YESADCHMXCFXNR-BNEJOLLZSA-N 1 1 468.536 -0.882 20 0 JBADMO CCC(C)(C)NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160093358 1069380702 /nfs/dbraw/zinc/38/07/02/1069380702.db2.gz YVWPYXOOHDUZMO-BASLNEPJSA-N 1 1 468.536 -0.739 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5)c4n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093398 1069381069 /nfs/dbraw/zinc/38/10/69/1069381069.db2.gz ZSDZLOCBGMQZGK-KLICCBINSA-N 1 1 499.509 -0.619 20 0 JBADMO CCOC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C(=O)OCC ZINC001160093795 1069380665 /nfs/dbraw/zinc/38/06/65/1069380665.db2.gz FXECNISZZYYYMQ-BNGXUDDSSA-N 1 1 463.447 -0.853 20 0 JBADMO CCOC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1C(=O)OCC ZINC001160093982 1069380861 /nfs/dbraw/zinc/38/08/61/1069380861.db2.gz GBUALMJANWIVNS-BASLNEPJSA-N 1 1 463.447 -0.853 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3c(Cl)nnc(Cl)c3N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160094709 1069380906 /nfs/dbraw/zinc/38/09/06/1069380906.db2.gz VBNDAUYXTRGRFH-YZTUOPDFSA-N 1 1 474.305 -0.668 20 0 JBADMO CN1C[C@@H](C(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102298 1069381559 /nfs/dbraw/zinc/38/15/59/1069381559.db2.gz KFHVWBHLQMFTQA-MOPGFXCFSA-N 1 1 450.580 -0.304 20 0 JBADMO CN1C[C@@H](C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102299 1069381787 /nfs/dbraw/zinc/38/17/87/1069381787.db2.gz KFHVWBHLQMFTQA-OALUTQOASA-N 1 1 450.580 -0.304 20 0 JBADMO CN1C[C@H](C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102300 1069381819 /nfs/dbraw/zinc/38/18/19/1069381819.db2.gz KFHVWBHLQMFTQA-RBUKOAKNSA-N 1 1 450.580 -0.304 20 0 JBADMO CN1C[C@H](C(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102301 1069381501 /nfs/dbraw/zinc/38/15/01/1069381501.db2.gz KFHVWBHLQMFTQA-RTBURBONSA-N 1 1 450.580 -0.304 20 0 JBADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160137250 1069382195 /nfs/dbraw/zinc/38/21/95/1069382195.db2.gz DMFSCMFYXOQFEJ-IWDBHXEASA-N 1 1 483.569 -0.066 20 0 JBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139270 1069382228 /nfs/dbraw/zinc/38/22/28/1069382228.db2.gz XMEGAVGHQIPUSY-HQMXNFIDSA-N 1 1 458.563 -0.364 20 0 JBADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001160154201 1069382127 /nfs/dbraw/zinc/38/21/27/1069382127.db2.gz WNJDKZUNAQQTCP-GDBMZVCRSA-N 1 1 454.549 -0.077 20 0 JBADMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001160154202 1069382320 /nfs/dbraw/zinc/38/23/20/1069382320.db2.gz WNJDKZUNAQQTCP-GOEBONIOSA-N 1 1 454.549 -0.077 20 0 JBADMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001160154203 1069382557 /nfs/dbraw/zinc/38/25/57/1069382557.db2.gz WNJDKZUNAQQTCP-HOCLYGCPSA-N 1 1 454.549 -0.077 20 0 JBADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001160154204 1069382512 /nfs/dbraw/zinc/38/25/12/1069382512.db2.gz WNJDKZUNAQQTCP-ZBFHGGJFSA-N 1 1 454.549 -0.077 20 0 JBADMO CC(C)CN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001160164729 1069382365 /nfs/dbraw/zinc/38/23/65/1069382365.db2.gz GVJKLXPRFBNIGC-LPHOPBHVSA-N 1 1 474.606 -0.181 20 0 JBADMO CN1C[C@@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160343994 1069388123 /nfs/dbraw/zinc/38/81/23/1069388123.db2.gz OHARPXZAVMPLFS-HKUYNNGSSA-N 1 1 468.562 -0.486 20 0 JBADMO CN1C[C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160343999 1069388194 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JBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C2)C1 ZINC001164722282 720284272 /nfs/dbraw/zinc/28/42/72/720284272.db2.gz PHFTYZWQMWHAEM-NRFANRHFSA-N 1 1 467.592 -0.233 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C2)C1 ZINC001164722284 720285623 /nfs/dbraw/zinc/28/56/23/720285623.db2.gz PHFTYZWQMWHAEM-OAQYLSRUSA-N 1 1 467.592 -0.233 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C2)C1 ZINC001164722284 720285618 /nfs/dbraw/zinc/28/56/18/720285618.db2.gz PHFTYZWQMWHAEM-OAQYLSRUSA-N 1 1 467.592 -0.233 20 0 JBADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(c2ccnc(N4CC[NH+](C)CC4)n2)CC3)C1=O ZINC001164749029 720942518 /nfs/dbraw/zinc/94/25/18/720942518.db2.gz HLVSOWUUJVUQTG-JOCHJYFZSA-N 1 1 477.635 -0.061 20 0 JBADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2ccnc(N4CC[NH+](C)CC4)n2)CC3)C1=O ZINC001164749039 720942258 /nfs/dbraw/zinc/94/22/58/720942258.db2.gz HLVSOWUUJVUQTG-QFIPXVFZSA-N 1 1 477.635 -0.061 20 0 JBADMO 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BNVVWQPPUNTJLE-BNEJOLLZSA-N 1 1 466.520 -0.985 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(N4CCc5ccccc5C4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261863 1068593871 /nfs/dbraw/zinc/59/38/71/1068593871.db2.gz CEDOWXBCGIQEKT-NMSZZDKCSA-N 1 1 451.487 -0.248 20 0 JBADMO COC(=O)c1ccc(-c2cncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)cc1 ZINC001171261876 1068593587 /nfs/dbraw/zinc/59/35/87/1068593587.db2.gz CWMXXPBPTSSYML-UTRMSSBJSA-N 1 1 454.443 -0.357 20 0 JBADMO COC(=O)c1sc2nc(C)nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2c1C ZINC001171261882 1068593740 /nfs/dbraw/zinc/59/37/40/1068593740.db2.gz DCKMZVGGHLFHOX-DMEFTLKTSA-N 1 1 462.488 -0.193 20 0 JBADMO CN(c1ccccc1)S(=O)(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261890 1068593998 /nfs/dbraw/zinc/59/39/98/1068593998.db2.gz DNWUEYGXUQCQMA-VXXKDZQQSA-N 1 1 488.526 -0.381 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(C(=O)NC4CC4)c4ccccc4n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261906 1068593559 /nfs/dbraw/zinc/59/35/59/1068593559.db2.gz FCDRSYLZYCKWTG-OBZYLPMUSA-N 1 1 452.471 -0.161 20 0 JBADMO COc1cc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2cc1OC(C)=O ZINC001171261923 1068593767 /nfs/dbraw/zinc/59/37/67/1068593767.db2.gz VBUHCQNKPGMBFV-KLICCBINSA-N 1 1 458.431 -0.724 20 0 JBADMO CC(C)NC(=O)c1cc(F)c(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261952 1068593973 /nfs/dbraw/zinc/59/39/73/1068593973.db2.gz WRCBGPPXQRCLEX-CNEMSGBDSA-N 1 1 456.862 -0.275 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CN(Cc3ccccc3)C4=O)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261994 1068593949 /nfs/dbraw/zinc/59/39/49/1068593949.db2.gz YRNZLHUAVQCYFZ-UNFPFYSMSA-N 1 1 499.915 -0.002 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4sc5c(c43)[C@@H](CCO)CC5)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262029 1068593611 /nfs/dbraw/zinc/59/36/11/1068593611.db2.gz FSDWRDKTVOKRQJ-VBIIAGHPSA-N 1 1 460.516 -0.184 20 0 JBADMO CCOC(=O)c1cnc(N2CCCCC2)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262043 1068594572 /nfs/dbraw/zinc/59/45/72/1068594572.db2.gz GICCDKRRTHNXOU-GFOCRRMGSA-N 1 1 475.506 -0.644 20 0 JBADMO COc1ccc2c(c1)CCc1cnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc1-2 ZINC001171262044 1068594455 /nfs/dbraw/zinc/59/44/55/1068594455.db2.gz GJIKCEINPMRLBI-RARDXLECSA-N 1 1 452.471 -0.037 20 0 JBADMO Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ncc12 ZINC001171262046 1068594651 /nfs/dbraw/zinc/59/46/51/1068594651.db2.gz GNVFPZDBJMDPKH-VXXKDZQQSA-N 1 1 469.502 -0.073 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(C(=O)N4CCOCC4)c4ccccc4n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262071 1068594552 /nfs/dbraw/zinc/59/45/52/1068594552.db2.gz HLFNUBGINZDSJN-KREFBHGWSA-N 1 1 482.497 -0.580 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3CN(Cc3ccccc3)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262090 1068594673 /nfs/dbraw/zinc/59/46/73/1068594673.db2.gz HUFPNKUMPODZDP-XLBJILASSA-N 1 1 451.487 -0.295 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4cc(N5CCOCC5)ccc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262113 1068594753 /nfs/dbraw/zinc/59/47/53/1068594753.db2.gz ILLPCLITIKJQCA-DLVXIWMQSA-N 1 1 455.475 -0.821 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(C(=O)N4CCc5ccccc54)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262156 1068594787 /nfs/dbraw/zinc/59/47/87/1068594787.db2.gz JROOPLMHCAFNOA-KREFBHGWSA-N 1 1 464.482 -0.003 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3c4nccn4ccc3I)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262251 1068594735 /nfs/dbraw/zinc/59/47/35/1068594735.db2.gz BRUQEIOUKVICKD-ZTYOMDHBSA-N 1 1 484.254 -0.349 20 0 JBADMO COc1ccc(CN2CCc3c2ncnc3Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171262262 1068594306 /nfs/dbraw/zinc/59/43/06/1068594306.db2.gz KKNLHGJTOSRFAF-WGQQHEPDSA-N 1 1 481.513 -0.240 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(CN4C(=O)NC5(CCCC5)C4=O)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262273 1068595170 /nfs/dbraw/zinc/59/51/70/1068595170.db2.gz KOPUACISRACRNA-BNEJOLLZSA-N 1 1 485.501 -0.841 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)c(F)cc3C(=O)N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262286 1068595661 /nfs/dbraw/zinc/59/56/61/1068595661.db2.gz KRKBUWAFCJOXDT-XWXWGSFUSA-N 1 1 484.872 -0.941 20 0 JBADMO COC(=O)c1ccccc1Oc1nccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262380 1068595256 /nfs/dbraw/zinc/59/52/56/1068595256.db2.gz LVQOOMDYZDSLNX-BNEJOLLZSA-N 1 1 470.442 -0.066 20 0 JBADMO CC(C)CNC(=O)c1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262442 1068595562 /nfs/dbraw/zinc/59/55/62/1068595562.db2.gz FFKFFWIGKOCJPO-DSPGLSBSSA-N 1 1 453.887 -0.772 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc4cc5c(cc4nc3Cl)OCCO5)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262533 1068595347 /nfs/dbraw/zinc/59/53/47/1068595347.db2.gz NKDHVLZRYJKIJP-SCFUHWHPSA-N 1 1 462.850 -0.233 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)c4ccccc4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262627 1068595145 /nfs/dbraw/zinc/59/51/45/1068595145.db2.gz FYGGYEMTUPOCDF-BDQAWRDZSA-N 1 1 460.472 -0.978 20 0 JBADMO COc1ccc(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)cc1OC ZINC001171262638 1068595453 /nfs/dbraw/zinc/59/54/53/1068595453.db2.gz GHAYTOAJXKNLIJ-HUYLIWGRSA-N 1 1 456.459 -0.127 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc(I)c4ncccc34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262647 1068595283 /nfs/dbraw/zinc/59/52/83/1068595283.db2.gz GQIXRABMLHATGU-MWKWWEEBSA-N 1 1 496.265 -0.053 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(C(=O)NCc4ccccc4)ccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262952 1068595226 /nfs/dbraw/zinc/59/52/26/1068595226.db2.gz UVABYIHCFXUMOC-OBZYLPMUSA-N 1 1 452.471 -0.276 20 0 JBADMO C[C@@H]1CN(c2nc3ccccc3nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[C@@H](C)O1 ZINC001171262954 1068595482 /nfs/dbraw/zinc/59/54/82/1068595482.db2.gz UVUPSZRWGPNEKH-AXWBIATGSA-N 1 1 483.529 -0.044 20 0 JBADMO C[C@@H]1CN(c2nc3ccccc3nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[C@H](C)O1 ZINC001171262955 1068595197 /nfs/dbraw/zinc/59/51/97/1068595197.db2.gz UVUPSZRWGPNEKH-BWMNKANXSA-N 1 1 483.529 -0.044 20 0 JBADMO C[C@H]1CN(c2nc3ccccc3nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[C@H](C)O1 ZINC001171262956 1068596501 /nfs/dbraw/zinc/59/65/01/1068596501.db2.gz UVUPSZRWGPNEKH-CXWASETDSA-N 1 1 483.529 -0.044 20 0 JBADMO CC(C)(C)NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171263026 1068596421 /nfs/dbraw/zinc/59/64/21/1068596421.db2.gz KFGUICSLAXIQAO-MWQQHZPXSA-N 1 1 453.521 -0.358 20 0 JBADMO Cc1cn2ccc(I)c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2n1 ZINC001171263045 1068596456 /nfs/dbraw/zinc/59/64/56/1068596456.db2.gz LADYFUUFCBTXGZ-MWKWWEEBSA-N 1 1 498.281 -0.040 20 0 JBADMO CC(=O)N1CCC2(CC1)c1ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc1NC2=O ZINC001171263047 1068596270 /nfs/dbraw/zinc/59/62/70/1068596270.db2.gz LGKXCZQWZRNUSM-VBSBHUPXSA-N 1 1 484.513 -0.769 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263068 1068596163 /nfs/dbraw/zinc/59/61/63/1068596163.db2.gz MFLXIRFBDNFUMG-XLBJILASSA-N 1 1 498.521 -0.014 20 0 JBADMO Nc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccc1I ZINC001171263196 1068596247 /nfs/dbraw/zinc/59/62/47/1068596247.db2.gz NVOAUIPPSIQIEI-GDECHXLSSA-N 1 1 460.232 -0.853 20 0 JBADMO CC(C)N(C(C)C)S(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171263259 1068596125 /nfs/dbraw/zinc/59/61/25/1068596125.db2.gz XDAUXAKIFZFXHJ-UTRMSSBJSA-N 1 1 482.563 -0.399 20 0 JBADMO COC(=O)C[C@H](C)c1c(Cl)ncnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263268 1068596299 /nfs/dbraw/zinc/59/62/99/1068596299.db2.gz XPWUCMGJWGXPPG-ACSHICKMSA-N 1 1 454.871 -0.491 20 0 JBADMO COC(=O)C[C@@H](C)c1c(Cl)ncnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263269 1068596515 /nfs/dbraw/zinc/59/65/15/1068596515.db2.gz XPWUCMGJWGXPPG-YFTBMXIGSA-N 1 1 454.871 -0.491 20 0 JBADMO Cc1csc2c1nc(Nc1ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n1)nc2N1CCOCC1 ZINC001171263287 1068596538 /nfs/dbraw/zinc/59/65/38/1068596538.db2.gz XXENDZAWSKHEQU-VBVJRUAFSA-N 1 1 475.531 -0.451 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(N4CCOCC4)cc4ccccc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263326 1068596475 /nfs/dbraw/zinc/59/64/75/1068596475.db2.gz YTGYGMPEIXSENO-OBZYLPMUSA-N 1 1 454.487 -0.216 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)ccc3CN3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263328 1068597267 /nfs/dbraw/zinc/59/72/67/1068597267.db2.gz YTPLTWGXRDSHAF-HALQFCHDSA-N 1 1 452.899 -0.720 20 0 JBADMO NC(=O)c1c(F)c(Br)ccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263521 1068597004 /nfs/dbraw/zinc/59/70/04/1068597004.db2.gz QJIDOZGQXKXSDI-AXTGTSHSSA-N 1 1 458.244 -0.601 20 0 JBADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(NC(C)=O)cc1OC ZINC001171263584 1068596102 /nfs/dbraw/zinc/59/61/02/1068596102.db2.gz RIZKNZARTXUMIX-VDHUWJSZSA-N 1 1 463.447 -0.682 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4cc(Br)cnc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263622 1068596971 /nfs/dbraw/zinc/59/69/71/1068596971.db2.gz TYOIZSUGJHRLMG-ZTYOMDHBSA-N 1 1 450.253 -0.500 20 0 JBADMO COC(=O)c1cccc(Oc2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)c1 ZINC001171263626 1068597088 /nfs/dbraw/zinc/59/70/88/1068597088.db2.gz UAKLZFXPTLDZBE-BNEJOLLZSA-N 1 1 470.442 -0.232 20 0 JBADMO COc1cc2nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2c(OC)c1OC ZINC001171263919 1068597200 /nfs/dbraw/zinc/59/72/00/1068597200.db2.gz WRTOJGUAUVFODR-AEVYOOLXSA-N 1 1 459.459 -0.027 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(Br)cnc3N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264457 1068597286 /nfs/dbraw/zinc/59/72/86/1068597286.db2.gz HCDVDKRYYYFOCX-DNNBLBMLSA-N 1 1 483.323 -0.607 20 0 JBADMO COC(=O)c1ccc(Oc2ncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cn2)cc1 ZINC001171264467 1068596850 /nfs/dbraw/zinc/59/68/50/1068596850.db2.gz HUBGHYVHXLDSGC-VDHUWJSZSA-N 1 1 470.442 -0.232 20 0 JBADMO COC(=O)c1ncc(Br)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264470 1068597147 /nfs/dbraw/zinc/59/71/47/1068597147.db2.gz HYSOWXNBKOBKRQ-WGEPELCKSA-N 1 1 456.253 -0.657 20 0 JBADMO CCOC(=O)C(Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1)C(=O)OCC ZINC001171264574 1068596944 /nfs/dbraw/zinc/59/69/44/1068596944.db2.gz MMHGBVJPDPWCND-VBSBHUPXSA-N 1 1 490.513 -0.150 20 0 JBADMO CCOC(=O)c1cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2oc1=O ZINC001171264575 1068597180 /nfs/dbraw/zinc/59/71/80/1068597180.db2.gz MPJMCGPOPFWQQG-VDHUWJSZSA-N 1 1 458.427 -0.152 20 0 JBADMO COc1cc(OC)c(C2OCCO2)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264603 1068597109 /nfs/dbraw/zinc/59/71/09/1068597109.db2.gz OBAYDZSAXPZCFH-VDHUWJSZSA-N 1 1 450.448 -0.538 20 0 JBADMO COC(=O)c1cncc(Br)c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264635 1068596884 /nfs/dbraw/zinc/59/68/84/1068596884.db2.gz PHXCTDIMLWTYKJ-WGEPELCKSA-N 1 1 456.253 -0.657 20 0 JBADMO CON(C)C(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Cl)cc1F ZINC001171264658 1068597059 /nfs/dbraw/zinc/59/70/59/1068597059.db2.gz QIGHYZOPQAILAE-DNNBLBMLSA-N 1 1 457.846 -0.009 20 0 JBADMO CCOC(=O)C1CCN(c2cncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)CC1 ZINC001171264734 1068597887 /nfs/dbraw/zinc/59/78/87/1068597887.db2.gz UNJCQCRSKFYOHA-VBSBHUPXSA-N 1 1 474.518 -0.427 20 0 JBADMO CS(=O)(=O)N1CCC(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)CC1 ZINC001171264843 1068597818 /nfs/dbraw/zinc/59/78/18/1068597818.db2.gz ZXPRJRGGQLWQNF-VBSBHUPXSA-N 1 1 479.559 -0.296 20 0 JBADMO Cn1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(OCc2ccccc2)cc1=O ZINC001171266064 1068597911 /nfs/dbraw/zinc/59/79/11/1068597911.db2.gz ATLDNTYLEYZKBG-QYRPDUKASA-N 1 1 455.471 -0.323 20 0 JBADMO CCOC(=O)c1cncn1-c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171266112 1068597760 /nfs/dbraw/zinc/59/77/60/1068597760.db2.gz CRDHVEHFAOFGQI-NXWXRZEISA-N 1 1 456.459 -0.073 20 0 JBADMO COCOc1ccc(CC(=O)OC)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171266359 1068597741 /nfs/dbraw/zinc/59/77/41/1068597741.db2.gz GICMSNDIVDOAFG-UTRMSSBJSA-N 1 1 450.448 -0.903 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(F)c(CN4CCOCC4)c(F)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266370 1068597943 /nfs/dbraw/zinc/59/79/43/1068597943.db2.gz GYVDPXGRBLALPY-NXWXRZEISA-N 1 1 453.446 -0.491 20 0 JBADMO CCOC(=O)c1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccc1Br ZINC001171266382 1068597682 /nfs/dbraw/zinc/59/76/82/1068597682.db2.gz HMNXMOZQUADLFL-WZZPKWGDSA-N 1 1 470.280 -0.101 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(Br)cc4c3NC(=O)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266397 1068597874 /nfs/dbraw/zinc/59/78/74/1068597874.db2.gz IDWDBHNPKBJNPS-YEHMFOAPSA-N 1 1 452.265 -0.344 20 0 JBADMO CON(C)C(=O)[C@H]1CCc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2O1 ZINC001171266540 1068597901 /nfs/dbraw/zinc/59/79/01/1068597901.db2.gz JVOGZKCKNKKUOJ-FEBARNBZSA-N 1 1 461.475 -0.722 20 0 JBADMO CON(C)C(=O)[C@@H]1CCc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2O1 ZINC001171266541 1068597695 /nfs/dbraw/zinc/59/76/95/1068597695.db2.gz JVOGZKCKNKKUOJ-MIGDXVIRSA-N 1 1 461.475 -0.722 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(F)c(C(=O)N4CCCC4)c(F)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266771 1068597861 /nfs/dbraw/zinc/59/78/61/1068597861.db2.gz LMAFSUIVSBTLTJ-VVHMCBODSA-N 1 1 451.430 -0.087 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(C(=O)NCc4ccccc4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266791 1068597959 /nfs/dbraw/zinc/59/79/59/1068597959.db2.gz MLOJPSXVDYGVFT-XLBJILASSA-N 1 1 452.471 -0.276 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Br)cn4c(Cl)cnc34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266803 1068597834 /nfs/dbraw/zinc/59/78/34/1068597834.db2.gz MWBUWUKXRFXBKV-UISLRAPISA-N 1 1 472.687 -0.142 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nnc(Br)cc3Br)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266822 1068597848 /nfs/dbraw/zinc/59/78/48/1068597848.db2.gz NTHSFWHHJALKAR-XYHAGOFUSA-N 1 1 478.101 -0.286 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc4c(cc3Br)CNC4=O)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266823 1068597712 /nfs/dbraw/zinc/59/77/12/1068597712.db2.gz NUXPJLFQSAXBTN-XKVFNRALSA-N 1 1 452.265 -0.595 20 0 JBADMO CCOC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1Br ZINC001171266830 1068597728 /nfs/dbraw/zinc/59/77/28/1068597728.db2.gz NXSQTKSLFNEOCL-JUDXGUMMSA-N 1 1 470.280 -0.267 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3c4c(ncc3Br)NC(=O)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266838 1068597928 /nfs/dbraw/zinc/59/79/28/1068597928.db2.gz OJZHTIYQHFFSTQ-MQMRNCCQSA-N 1 1 453.253 -0.949 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc4c(F)cc(Br)cn34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266960 1068598410 /nfs/dbraw/zinc/59/84/10/1068598410.db2.gz PRBUIQSDVJTISP-QGMIFYJMSA-N 1 1 455.244 -0.052 20 0 JBADMO COC(=O)c1cc(Br)c(OC)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171266978 1068598796 /nfs/dbraw/zinc/59/87/96/1068598796.db2.gz QRDOPMVADPFAIL-XKVFNRALSA-N 1 1 485.291 -0.043 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc(Br)c4nsnc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266992 1068598815 /nfs/dbraw/zinc/59/88/15/1068598815.db2.gz RFXDDGKLLOOPOR-VHQAPHLWSA-N 1 1 456.282 -0.439 20 0 JBADMO COC(=O)C1=Cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc(OC)c2OC1 ZINC001171267285 1068598735 /nfs/dbraw/zinc/59/87/35/1068598735.db2.gz WMLMRVQKGTYFCW-KLICCBINSA-N 1 1 460.443 -0.644 20 0 JBADMO CCOC(=O)c1cnc2ccc(OC)nc2c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171267333 1068597777 /nfs/dbraw/zinc/59/77/77/1068597777.db2.gz XIZMRUOVDYTXNX-GWMUQRIZSA-N 1 1 472.458 -0.473 20 0 JBADMO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001171332379 1068625692 /nfs/dbraw/zinc/62/56/92/1068625692.db2.gz PDANIRIECIUSHJ-INIZCTEOSA-N 1 1 452.533 -0.499 20 0 JBADMO CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001171332379 1068625682 /nfs/dbraw/zinc/62/56/82/1068625682.db2.gz PDANIRIECIUSHJ-INIZCTEOSA-N 1 1 452.533 -0.499 20 0 JBADMO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001171332381 1068625956 /nfs/dbraw/zinc/62/59/56/1068625956.db2.gz PDANIRIECIUSHJ-MRXNPFEDSA-N 1 1 452.533 -0.499 20 0 JBADMO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001171332381 1068625949 /nfs/dbraw/zinc/62/59/49/1068625949.db2.gz PDANIRIECIUSHJ-MRXNPFEDSA-N 1 1 452.533 -0.499 20 0 JBADMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)cc1 ZINC001171630917 1068630914 /nfs/dbraw/zinc/63/09/14/1068630914.db2.gz HMMISIFEBZXXLF-RBUKOAKNSA-N 1 1 450.561 -0.527 20 0 JBADMO COc1ccc(NC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001171631832 1068631810 /nfs/dbraw/zinc/63/18/10/1068631810.db2.gz RFFKTNNHOZDUPV-DLBZAZTESA-N 1 1 454.549 -0.595 20 0 JBADMO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001171661837 1068631928 /nfs/dbraw/zinc/63/19/28/1068631928.db2.gz HKPZVDXZUYVAKY-AZUAARDMSA-N 1 1 457.549 -0.382 20 0 JBADMO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001171661838 1068631432 /nfs/dbraw/zinc/63/14/32/1068631432.db2.gz HKPZVDXZUYVAKY-ICSRJNTNSA-N 1 1 457.549 -0.382 20 0 JBADMO CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001171661840 1068631950 /nfs/dbraw/zinc/63/19/50/1068631950.db2.gz HKPZVDXZUYVAKY-QUCCMNQESA-N 1 1 457.549 -0.382 20 0 JBADMO CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001171661841 1068631510 /nfs/dbraw/zinc/63/15/10/1068631510.db2.gz HKPZVDXZUYVAKY-UYAOXDASSA-N 1 1 457.549 -0.382 20 0 JBADMO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(N)=O ZINC001171700709 1068631749 /nfs/dbraw/zinc/63/17/49/1068631749.db2.gz BLMCMQCPRULFJX-CAGXHZNZSA-N 1 1 464.519 -0.220 20 0 JBADMO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(N)=O ZINC001171700710 1068631729 /nfs/dbraw/zinc/63/17/29/1068631729.db2.gz BLMCMQCPRULFJX-XJOINEQPSA-N 1 1 464.519 -0.220 20 0 JBADMO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1=O ZINC001171700871 1068631692 /nfs/dbraw/zinc/63/16/92/1068631692.db2.gz CTCAPLANFNDZGA-BPUTZDHNSA-N 1 1 450.492 -0.609 20 0 JBADMO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1=O ZINC001171700872 1068631853 /nfs/dbraw/zinc/63/18/53/1068631853.db2.gz CTCAPLANFNDZGA-KBMXLJTQSA-N 1 1 450.492 -0.609 20 0 JBADMO C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728225 1068631459 /nfs/dbraw/zinc/63/14/59/1068631459.db2.gz LOCXVBLAURNPSE-CCRXZMLTSA-N 1 1 455.519 -0.411 20 0 JBADMO C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728225 1068631454 /nfs/dbraw/zinc/63/14/54/1068631454.db2.gz LOCXVBLAURNPSE-CCRXZMLTSA-N 1 1 455.519 -0.411 20 0 JBADMO C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728226 1068631641 /nfs/dbraw/zinc/63/16/41/1068631641.db2.gz LOCXVBLAURNPSE-CZXRITGDSA-N 1 1 455.519 -0.411 20 0 JBADMO C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728226 1068631633 /nfs/dbraw/zinc/63/16/33/1068631633.db2.gz LOCXVBLAURNPSE-CZXRITGDSA-N 1 1 455.519 -0.411 20 0 JBADMO C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728227 1068631885 /nfs/dbraw/zinc/63/18/85/1068631885.db2.gz LOCXVBLAURNPSE-MVRLHCLPSA-N 1 1 455.519 -0.411 20 0 JBADMO C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728227 1068631876 /nfs/dbraw/zinc/63/18/76/1068631876.db2.gz LOCXVBLAURNPSE-MVRLHCLPSA-N 1 1 455.519 -0.411 20 0 JBADMO C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728228 1068631414 /nfs/dbraw/zinc/63/14/14/1068631414.db2.gz LOCXVBLAURNPSE-UANOPRFOSA-N 1 1 455.519 -0.411 20 0 JBADMO C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728228 1068631406 /nfs/dbraw/zinc/63/14/06/1068631406.db2.gz LOCXVBLAURNPSE-UANOPRFOSA-N 1 1 455.519 -0.411 20 0 JBADMO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001171740785 1068632475 /nfs/dbraw/zinc/63/24/75/1068632475.db2.gz HCCJJLKCEFMOHN-HZPDHXFCSA-N 1 1 455.533 -0.628 20 0 JBADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCN(C3CC3)C(=O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172007934 1068633364 /nfs/dbraw/zinc/63/33/64/1068633364.db2.gz GOQUWFZMBFXDMG-LSPWCHOOSA-N 1 1 484.502 -0.188 20 0 JBADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CCN(C3CC3)C(=O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172007935 1068633527 /nfs/dbraw/zinc/63/35/27/1068633527.db2.gz GOQUWFZMBFXDMG-PMCGBCEASA-N 1 1 484.502 -0.188 20 0 JBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008382 1068633398 /nfs/dbraw/zinc/63/33/98/1068633398.db2.gz PCGYLYKUGXFLRT-NEWSRXKRSA-N 1 1 457.579 -0.426 20 0 JBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008387 1068633374 /nfs/dbraw/zinc/63/33/74/1068633374.db2.gz PCGYLYKUGXFLRT-WDSOQIARSA-N 1 1 457.579 -0.426 20 0 JBADMO CCN1CC[C@@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1=O ZINC001172036996 1068634183 /nfs/dbraw/zinc/63/41/83/1068634183.db2.gz NCNMLHPLOTXDGO-OPYAIIAOSA-N 1 1 456.609 -0.028 20 0 JBADMO CCN1CC[C@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1=O ZINC001172037001 1068634216 /nfs/dbraw/zinc/63/42/16/1068634216.db2.gz NCNMLHPLOTXDGO-UEXGIBASSA-N 1 1 456.609 -0.028 20 0 JBADMO CCN1CC[C@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CC1=O ZINC001172037721 1068634206 /nfs/dbraw/zinc/63/42/06/1068634206.db2.gz YVJBMXZUWVKHKI-MCWKFYIRSA-N 1 1 472.491 -0.330 20 0 JBADMO CCN1CC[C@@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CC1=O ZINC001172037724 1068633997 /nfs/dbraw/zinc/63/39/97/1068633997.db2.gz YVJBMXZUWVKHKI-ZPJXIJEESA-N 1 1 472.491 -0.330 20 0 JBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159992 1068635848 /nfs/dbraw/zinc/63/58/48/1068635848.db2.gz DFCMFXMJQLUIAX-RDGPPVDQSA-N 1 1 457.579 -0.426 20 0 JBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159993 1068635782 /nfs/dbraw/zinc/63/57/82/1068635782.db2.gz DFCMFXMJQLUIAX-VJANTYMQSA-N 1 1 457.579 -0.426 20 0 JBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159994 1068635727 /nfs/dbraw/zinc/63/57/27/1068635727.db2.gz DFCMFXMJQLUIAX-XWSJACJDSA-N 1 1 457.579 -0.426 20 0 JBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159995 1068635889 /nfs/dbraw/zinc/63/58/89/1068635889.db2.gz DFCMFXMJQLUIAX-YRXWBPOGSA-N 1 1 457.579 -0.426 20 0 JBADMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001172703405 1068638066 /nfs/dbraw/zinc/63/80/66/1068638066.db2.gz CXRROSYKYIZSRY-OLZOCXBDSA-N 1 1 457.528 -0.987 20 0 JBADMO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001172703408 1068638695 /nfs/dbraw/zinc/63/86/95/1068638695.db2.gz CXRROSYKYIZSRY-STQMWFEESA-N 1 1 457.528 -0.987 20 0 JBADMO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001172704569 1068638524 /nfs/dbraw/zinc/63/85/24/1068638524.db2.gz IRZBXZGWZSCXNB-JYJNAYRXSA-N 1 1 497.593 -0.112 20 0 JBADMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001172704581 1068638744 /nfs/dbraw/zinc/63/87/44/1068638744.db2.gz IRZBXZGWZSCXNB-PMPSAXMXSA-N 1 1 497.593 -0.112 20 0 JBADMO COC(=O)N1CCC(NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172735660 1068638946 /nfs/dbraw/zinc/63/89/46/1068638946.db2.gz FGRRVXYTAGSMHD-ROUUACIJSA-N 1 1 461.567 -0.349 20 0 JBADMO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3[C@H](n4ccc(=O)[nH]c4=O)O[C@H](CO)[C@H]3O)CC2=O)c(OC)c1 ZINC001173034311 1068640468 /nfs/dbraw/zinc/64/04/68/1068640468.db2.gz FQKUMRCUCVCTIZ-AAMFELJASA-N 1 1 490.513 -0.634 20 0 JBADMO COc1ccc(CN2CC[C@H]([NH2+][C@H]3[C@H](n4ccc(=O)[nH]c4=O)O[C@H](CO)[C@H]3O)CC2=O)c(OC)c1 ZINC001173034325 1068640624 /nfs/dbraw/zinc/64/06/24/1068640624.db2.gz FQKUMRCUCVCTIZ-XNROMZQHSA-N 1 1 490.513 -0.634 20 0 JBADMO COc1ccc(CN2CC[C@@H](Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)CC2=O)c(OC)c1 ZINC001173034487 1068640561 /nfs/dbraw/zinc/64/05/61/1068640561.db2.gz GEXFVRLXVHDLLD-AAMFELJASA-N 1 1 489.529 -0.724 20 0 JBADMO COc1ccc(CN2CC[C@H](Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)CC2=O)c(OC)c1 ZINC001173034490 1068640522 /nfs/dbraw/zinc/64/05/22/1068640522.db2.gz GEXFVRLXVHDLLD-XNROMZQHSA-N 1 1 489.529 -0.724 20 0 JBADMO CC[N@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351560 1068641266 /nfs/dbraw/zinc/64/12/66/1068641266.db2.gz CRANPRPGLUQLDQ-ILXRZTDVSA-N 1 1 451.528 -0.697 20 0 JBADMO CC[N@@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351560 1068641257 /nfs/dbraw/zinc/64/12/57/1068641257.db2.gz CRANPRPGLUQLDQ-ILXRZTDVSA-N 1 1 451.528 -0.697 20 0 JBADMO CC[N@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351565 1068641616 /nfs/dbraw/zinc/64/16/16/1068641616.db2.gz CRANPRPGLUQLDQ-KKUMJFAQSA-N 1 1 451.528 -0.697 20 0 JBADMO CC[N@@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351565 1068641611 /nfs/dbraw/zinc/64/16/11/1068641611.db2.gz CRANPRPGLUQLDQ-KKUMJFAQSA-N 1 1 451.528 -0.697 20 0 JBADMO CC[N@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351567 1068641430 /nfs/dbraw/zinc/64/14/30/1068641430.db2.gz CRANPRPGLUQLDQ-QLFBSQMISA-N 1 1 451.528 -0.697 20 0 JBADMO CC[N@@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351567 1068641424 /nfs/dbraw/zinc/64/14/24/1068641424.db2.gz CRANPRPGLUQLDQ-QLFBSQMISA-N 1 1 451.528 -0.697 20 0 JBADMO CC[N@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351571 1068641668 /nfs/dbraw/zinc/64/16/68/1068641668.db2.gz CRANPRPGLUQLDQ-SOUVJXGZSA-N 1 1 451.528 -0.697 20 0 JBADMO CC[N@@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001173351571 1068641664 /nfs/dbraw/zinc/64/16/64/1068641664.db2.gz CRANPRPGLUQLDQ-SOUVJXGZSA-N 1 1 451.528 -0.697 20 0 JBADMO COc1ccc(C(=O)N2CCC(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)CC2)cc1 ZINC001173402509 1068643198 /nfs/dbraw/zinc/64/31/98/1068643198.db2.gz WIJVBQMEZFTENR-XLBJILASSA-N 1 1 459.503 -0.619 20 0 JBADMO [NH3+][C@H]1[C@H](n2ccc(NC3CCN(CC(=O)OCc4ccccc4)CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001173464109 1068643047 /nfs/dbraw/zinc/64/30/47/1068643047.db2.gz TWFKZLQVSMQVRH-BRKWEVRTSA-N 1 1 473.530 -0.725 20 0 JBADMO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CCN1C(=O)c1ccccc1 ZINC001173490386 1068643900 /nfs/dbraw/zinc/64/39/00/1068643900.db2.gz FPCJDQRFFQDVKL-BNGLOEMFSA-N 1 1 488.497 -0.996 20 0 JBADMO COC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CCN1C(=O)c1ccccc1 ZINC001173490406 1068643822 /nfs/dbraw/zinc/64/38/22/1068643822.db2.gz FPCJDQRFFQDVKL-PLMAOHFASA-N 1 1 488.497 -0.996 20 0 JBADMO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CCN1C(=O)c1ccccc1 ZINC001173490412 1068643799 /nfs/dbraw/zinc/64/37/99/1068643799.db2.gz FPCJDQRFFQDVKL-POZCIEJDSA-N 1 1 488.497 -0.996 20 0 JBADMO COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CCN1C(=O)c1ccccc1 ZINC001173490417 1068643844 /nfs/dbraw/zinc/64/38/44/1068643844.db2.gz FPCJDQRFFQDVKL-ZLIPZANWSA-N 1 1 488.497 -0.996 20 0 JBADMO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173522953 1068644596 /nfs/dbraw/zinc/64/45/96/1068644596.db2.gz BGFPBQKKBHDCTC-LHSJRXKWSA-N 1 1 472.539 -0.297 20 0 JBADMO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173522960 1068644740 /nfs/dbraw/zinc/64/47/40/1068644740.db2.gz BGFPBQKKBHDCTC-QKKBWIMNSA-N 1 1 472.539 -0.297 20 0 JBADMO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173522964 1068644777 /nfs/dbraw/zinc/64/47/77/1068644777.db2.gz BGFPBQKKBHDCTC-SPLOXXLWSA-N 1 1 472.539 -0.297 20 0 JBADMO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173522968 1068644650 /nfs/dbraw/zinc/64/46/50/1068644650.db2.gz BGFPBQKKBHDCTC-SZNDQCEHSA-N 1 1 472.539 -0.297 20 0 JBADMO CC[C@@]1(C(=O)OC)C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1C(=O)OC(C)(C)C ZINC001173523849 1068644711 /nfs/dbraw/zinc/64/47/11/1068644711.db2.gz FHKIYHPMEFNOQM-JAPQNGERSA-N 1 1 497.549 -0.602 20 0 JBADMO CC[C@]1(C(=O)OC)C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1C(=O)OC(C)(C)C ZINC001173523850 1068644692 /nfs/dbraw/zinc/64/46/92/1068644692.db2.gz FHKIYHPMEFNOQM-OQBJAINESA-N 1 1 497.549 -0.602 20 0 JBADMO CC[C@]1(C(=O)OC)C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1C(=O)OC(C)(C)C ZINC001173523851 1068645517 /nfs/dbraw/zinc/64/55/17/1068645517.db2.gz FHKIYHPMEFNOQM-SJBSVVFCSA-N 1 1 497.549 -0.602 20 0 JBADMO CC[C@@]1(C(=O)OC)C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1C(=O)OC(C)(C)C ZINC001173523852 1068645392 /nfs/dbraw/zinc/64/53/92/1068645392.db2.gz FHKIYHPMEFNOQM-YREFXGTGSA-N 1 1 497.549 -0.602 20 0 JBADMO CC[C@]1(C(=O)OC)C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173545833 1068643755 /nfs/dbraw/zinc/64/37/55/1068643755.db2.gz SJFSLBNJLKKGIQ-AYSMAOOMSA-N 1 1 483.566 -0.500 20 0 JBADMO CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173545836 1068643925 /nfs/dbraw/zinc/64/39/25/1068643925.db2.gz SJFSLBNJLKKGIQ-DFFLPILJSA-N 1 1 483.566 -0.500 20 0 JBADMO CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173545838 1068643863 /nfs/dbraw/zinc/64/38/63/1068643863.db2.gz SJFSLBNJLKKGIQ-GTQRCTGISA-N 1 1 483.566 -0.500 20 0 JBADMO CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173545841 1068643932 /nfs/dbraw/zinc/64/39/32/1068643932.db2.gz SJFSLBNJLKKGIQ-ZCCHDVMBSA-N 1 1 483.566 -0.500 20 0 JBADMO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574910 1068645882 /nfs/dbraw/zinc/64/58/82/1068645882.db2.gz HXNIKUXAPPWXHG-FCQWJQKHSA-N 1 1 461.519 -0.200 20 0 JBADMO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574914 1068645672 /nfs/dbraw/zinc/64/56/72/1068645672.db2.gz HXNIKUXAPPWXHG-OQYZPLRDSA-N 1 1 461.519 -0.200 20 0 JBADMO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574916 1068645562 /nfs/dbraw/zinc/64/55/62/1068645562.db2.gz HXNIKUXAPPWXHG-PBWVOLNLSA-N 1 1 461.519 -0.200 20 0 JBADMO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574917 1068645863 /nfs/dbraw/zinc/64/58/63/1068645863.db2.gz HXNIKUXAPPWXHG-YDGKCNFYSA-N 1 1 461.519 -0.200 20 0 JBADMO COC(=O)[C@@H]1C[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C[C@@H]1C(=O)OC ZINC001173578058 1068646598 /nfs/dbraw/zinc/64/65/98/1068646598.db2.gz HWQJOXVSNSTELA-ACHSLPGTSA-N 1 1 482.559 -0.228 20 0 JBADMO COC(=O)[C@@H]1C[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C[C@@H]1C(=O)OC ZINC001173578063 1068646550 /nfs/dbraw/zinc/64/65/50/1068646550.db2.gz HWQJOXVSNSTELA-XGBSXSJOSA-N 1 1 482.559 -0.228 20 0 JBADMO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C[C@@H]1C(=O)OC ZINC001173579268 1068646426 /nfs/dbraw/zinc/64/64/26/1068646426.db2.gz ZRHHKSKYLTUGHX-KHHDSSOXSA-N 1 1 472.560 -0.679 20 0 JBADMO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C[C@@H]1C(=O)OC ZINC001173579280 1068646609 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COC(=O)[C@@H]1C[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173579424 1068646563 /nfs/dbraw/zinc/64/65/63/1068646563.db2.gz PSKYSRZRZKEHPS-QDMKHBRRSA-N 1 1 456.521 -0.761 20 0 JBADMO COC(=O)[C@@H]1C[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173579425 1068646261 /nfs/dbraw/zinc/64/62/61/1068646261.db2.gz PSKYSRZRZKEHPS-QKDCVEJESA-N 1 1 456.521 -0.761 20 0 JBADMO COC(=O)[C@@H]1C[C@H]([N@H+]2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)C[C@@H]1C(=O)OC ZINC001173579996 1068646231 /nfs/dbraw/zinc/64/62/31/1068646231.db2.gz ULCCKYIZDYWPFX-CCFTVXDOSA-N 1 1 450.492 -0.405 20 0 JBADMO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)C[C@@H]1C(=O)OC ZINC001173579996 1068646220 /nfs/dbraw/zinc/64/62/20/1068646220.db2.gz ULCCKYIZDYWPFX-CCFTVXDOSA-N 1 1 450.492 -0.405 20 0 JBADMO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)C[C@@H]1C(=O)OC ZINC001173580000 1068646351 /nfs/dbraw/zinc/64/63/51/1068646351.db2.gz 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COc1ccc(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1S(=O)(=O)N1CCOCC1 ZINC001176532935 1068659736 /nfs/dbraw/zinc/65/97/36/1068659736.db2.gz CJIHOTRPCDKPTJ-ZWKOTPCHSA-N 1 1 453.561 -0.074 20 0 JBADMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001176610362 1068660401 /nfs/dbraw/zinc/66/04/01/1068660401.db2.gz OMQFJBYPDZWQPB-OAGGEKHMSA-N 1 1 474.605 -0.109 20 0 JBADMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001176610362 1068660398 /nfs/dbraw/zinc/66/03/98/1068660398.db2.gz OMQFJBYPDZWQPB-OAGGEKHMSA-N 1 1 474.605 -0.109 20 0 JBADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001176610365 1068660326 /nfs/dbraw/zinc/66/03/26/1068660326.db2.gz OMQFJBYPDZWQPB-PMPSAXMXSA-N 1 1 474.605 -0.109 20 0 JBADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001176610365 1068660321 /nfs/dbraw/zinc/66/03/21/1068660321.db2.gz OMQFJBYPDZWQPB-PMPSAXMXSA-N 1 1 474.605 -0.109 20 0 JBADMO C[NH+]1CCN(c2ncc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cn2)CC1 ZINC001176633784 1068660453 /nfs/dbraw/zinc/66/04/53/1068660453.db2.gz CYNCPYPLRSPXLB-CXQPBAHBSA-N 1 1 463.560 -0.136 20 0 JBADMO C[NH+]1CCN(c2ncc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3)cn2)CC1 ZINC001176633785 1068661255 /nfs/dbraw/zinc/66/12/55/1068661255.db2.gz CYNCPYPLRSPXLB-DEPCRRQNSA-N 1 1 463.560 -0.136 20 0 JBADMO C[NH+]1CCN(c2ncc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)cn2)CC1 ZINC001176633786 1068661136 /nfs/dbraw/zinc/66/11/36/1068661136.db2.gz CYNCPYPLRSPXLB-IVDHNXQLSA-N 1 1 463.560 -0.136 20 0 JBADMO C[NH+]1CCN(c2ncc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)cn2)CC1 ZINC001176633787 1068661027 /nfs/dbraw/zinc/66/10/27/1068661027.db2.gz CYNCPYPLRSPXLB-RMMWZPCPSA-N 1 1 463.560 -0.136 20 0 JBADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](CO)[C@H](CCO)C3)CC2)c1 ZINC001176965954 1068666342 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/nfs/dbraw/zinc/67/77/54/1068677754.db2.gz FHOHJXZBIIYVPW-UHFFFAOYSA-N 1 1 454.549 -0.251 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 ZINC001178498743 1068689462 /nfs/dbraw/zinc/68/94/62/1068689462.db2.gz JHPNGNSMZXADKK-HSZRJFAPSA-N 1 1 481.594 -0.247 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 ZINC001178498743 1068689460 /nfs/dbraw/zinc/68/94/60/1068689460.db2.gz JHPNGNSMZXADKK-HSZRJFAPSA-N 1 1 481.594 -0.247 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 ZINC001178498744 1068689434 /nfs/dbraw/zinc/68/94/34/1068689434.db2.gz JHPNGNSMZXADKK-QHCPKHFHSA-N 1 1 481.594 -0.247 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 ZINC001178498744 1068689432 /nfs/dbraw/zinc/68/94/32/1068689432.db2.gz JHPNGNSMZXADKK-QHCPKHFHSA-N 1 1 481.594 -0.247 20 0 JBADMO C[NH+]1CCN(CC(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)CC1 ZINC001178948731 1068699163 /nfs/dbraw/zinc/69/91/63/1068699163.db2.gz OGPWARRIRJQZAA-RDPSFJRHSA-N 1 1 471.606 -0.372 20 0 JBADMO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)c2nonc21 ZINC001178951732 1068698969 /nfs/dbraw/zinc/69/89/69/1068698969.db2.gz JRLOWOWAOQYDMU-UHFFFAOYSA-N 1 1 451.553 -0.631 20 0 JBADMO CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001179017892 1068699057 /nfs/dbraw/zinc/69/90/57/1068699057.db2.gz RBBLRTXFFAWFRA-SFTDATJTSA-N 1 1 487.605 -0.364 20 0 JBADMO CN1C[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154935 1068701734 /nfs/dbraw/zinc/70/17/34/1068701734.db2.gz ARANSFYPKKTUPW-HNNXBMFYSA-N 1 1 459.548 -0.249 20 0 JBADMO CN1C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154937 1068701957 /nfs/dbraw/zinc/70/19/57/1068701957.db2.gz ARANSFYPKKTUPW-OAHLLOKOSA-N 1 1 459.548 -0.249 20 0 JBADMO C[N@H+]1C[C@@H](C(=O)N2CC(N3CCNC(=O)C3)C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154955 1068701807 /nfs/dbraw/zinc/70/18/07/1068701807.db2.gz SXTNUNJSCUDXKL-KRWDZBQOSA-N 1 1 451.568 -0.271 20 0 JBADMO C[N@H+]1C[C@H](C(=O)N2CC(N3CCNC(=O)C3)C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154960 1068701837 /nfs/dbraw/zinc/70/18/37/1068701837.db2.gz SXTNUNJSCUDXKL-QGZVFWFLSA-N 1 1 451.568 -0.271 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214980 1068702351 /nfs/dbraw/zinc/70/23/51/1068702351.db2.gz NSXHUFAYJKKBOS-AUSIDOKSSA-N 1 1 493.605 -0.201 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214980 1068702340 /nfs/dbraw/zinc/70/23/40/1068702340.db2.gz NSXHUFAYJKKBOS-AUSIDOKSSA-N 1 1 493.605 -0.201 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214981 1068702478 /nfs/dbraw/zinc/70/24/78/1068702478.db2.gz NSXHUFAYJKKBOS-CVDCTZTESA-N 1 1 493.605 -0.201 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214981 1068702469 /nfs/dbraw/zinc/70/24/69/1068702469.db2.gz NSXHUFAYJKKBOS-CVDCTZTESA-N 1 1 493.605 -0.201 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214983 1068702864 /nfs/dbraw/zinc/70/28/64/1068702864.db2.gz NSXHUFAYJKKBOS-WMZHIEFXSA-N 1 1 493.605 -0.201 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214983 1068702853 /nfs/dbraw/zinc/70/28/53/1068702853.db2.gz NSXHUFAYJKKBOS-WMZHIEFXSA-N 1 1 493.605 -0.201 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214984 1068702898 /nfs/dbraw/zinc/70/28/98/1068702898.db2.gz NSXHUFAYJKKBOS-XXBNENTESA-N 1 1 493.605 -0.201 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001179214984 1068702891 /nfs/dbraw/zinc/70/28/91/1068702891.db2.gz NSXHUFAYJKKBOS-XXBNENTESA-N 1 1 493.605 -0.201 20 0 JBADMO CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)C2)CC1 ZINC001179379956 1068705959 /nfs/dbraw/zinc/70/59/59/1068705959.db2.gz IOOOGULKRUNPKN-FLXTZLBDSA-N 1 1 473.567 -0.986 20 0 JBADMO CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)C2)CC1 ZINC001179379957 1068706121 /nfs/dbraw/zinc/70/61/21/1068706121.db2.gz IOOOGULKRUNPKN-HAWXMVKLSA-N 1 1 473.567 -0.986 20 0 JBADMO CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)C2)CC1 ZINC001179379958 1068706026 /nfs/dbraw/zinc/70/60/26/1068706026.db2.gz IOOOGULKRUNPKN-NDPLEXNRSA-N 1 1 473.567 -0.986 20 0 JBADMO CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)C2)CC1 ZINC001179379959 1068706269 /nfs/dbraw/zinc/70/62/69/1068706269.db2.gz IOOOGULKRUNPKN-PHVPSJSMSA-N 1 1 473.567 -0.986 20 0 JBADMO CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@@]2(C1)c1ccccc1NC2=O ZINC001179445513 1068706591 /nfs/dbraw/zinc/70/65/91/1068706591.db2.gz VXZLPJUGFAGLRB-KPIMEJPUSA-N 1 1 457.535 -0.738 20 0 JBADMO CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@]2(C1)c1ccccc1NC2=O ZINC001179445514 1068706635 /nfs/dbraw/zinc/70/66/35/1068706635.db2.gz VXZLPJUGFAGLRB-NPJJNSSXSA-N 1 1 457.535 -0.738 20 0 JBADMO CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@]2(C1)c1ccccc1NC2=O ZINC001179445515 1068706509 /nfs/dbraw/zinc/70/65/09/1068706509.db2.gz VXZLPJUGFAGLRB-NSKLVUKDSA-N 1 1 457.535 -0.738 20 0 JBADMO CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@@]2(C1)c1ccccc1NC2=O ZINC001179445516 1068706537 /nfs/dbraw/zinc/70/65/37/1068706537.db2.gz VXZLPJUGFAGLRB-RYORVHSZSA-N 1 1 457.535 -0.738 20 0 JBADMO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC([NH2+]C2COC2)C1 ZINC001179457890 1068707345 /nfs/dbraw/zinc/70/73/45/1068707345.db2.gz LYAKWAUYYKYPRH-UHFFFAOYSA-N 1 1 454.524 -0.362 20 0 JBADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCC(=O)N2CCNC(=O)CC2)cc1 ZINC001180269112 1068712848 /nfs/dbraw/zinc/71/28/48/1068712848.db2.gz KGNRKIYCUWLMPY-UHFFFAOYSA-N 1 1 458.563 -0.036 20 0 JBADMO CC(C)N1CCN(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001180344597 1068714099 /nfs/dbraw/zinc/71/40/99/1068714099.db2.gz CHXTTZOFGPNMPL-RBUKOAKNSA-N 1 1 462.620 -0.156 20 0 JBADMO CC(C)N1CCN(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001180351017 1068714229 /nfs/dbraw/zinc/71/42/29/1068714229.db2.gz MNEYHTODUWMOEZ-UHFFFAOYSA-N 1 1 453.569 -0.209 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)C1 ZINC001180377294 1068714891 /nfs/dbraw/zinc/71/48/91/1068714891.db2.gz GGWFYUMCSQJUHK-NRFANRHFSA-N 1 1 452.577 -0.046 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)C1 ZINC001180377294 1068714878 /nfs/dbraw/zinc/71/48/78/1068714878.db2.gz GGWFYUMCSQJUHK-NRFANRHFSA-N 1 1 452.577 -0.046 20 0 JBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)C1 ZINC001180377296 1068714824 /nfs/dbraw/zinc/71/48/24/1068714824.db2.gz GGWFYUMCSQJUHK-OAQYLSRUSA-N 1 1 452.577 -0.046 20 0 JBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)C1 ZINC001180377296 1068714812 /nfs/dbraw/zinc/71/48/12/1068714812.db2.gz GGWFYUMCSQJUHK-OAQYLSRUSA-N 1 1 452.577 -0.046 20 0 JBADMO CCN(CC)CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001180391643 1068715458 /nfs/dbraw/zinc/71/54/58/1068715458.db2.gz XGHHKJKKZNSDLH-LNLFQRSKSA-N 1 1 454.616 -0.441 20 0 JBADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001180405731 1068716093 /nfs/dbraw/zinc/71/60/93/1068716093.db2.gz QAAHRUAPFWWIGQ-JKSUJKDBSA-N 1 1 469.502 -0.178 20 0 JBADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001180410060 1068716354 /nfs/dbraw/zinc/71/63/54/1068716354.db2.gz NTMQTWSUZBMJGG-PXTPFGJHSA-N 1 1 486.525 -0.057 20 0 JBADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180410673 1068716034 /nfs/dbraw/zinc/71/60/34/1068716034.db2.gz UBMVWLXUWFEUOD-WOZUAGRISA-N 1 1 496.568 -0.166 20 0 JBADMO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180410673 1068716025 /nfs/dbraw/zinc/71/60/25/1068716025.db2.gz UBMVWLXUWFEUOD-WOZUAGRISA-N 1 1 496.568 -0.166 20 0 JBADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180410673 1068716015 /nfs/dbraw/zinc/71/60/15/1068716015.db2.gz UBMVWLXUWFEUOD-WOZUAGRISA-N 1 1 496.568 -0.166 20 0 JBADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)N1CCCC1)C(N)=O ZINC001180586075 1068718694 /nfs/dbraw/zinc/71/86/94/1068718694.db2.gz NZLOMNBAALMSJD-VJANTYMQSA-N 1 1 466.627 -0.298 20 0 JBADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)N1CCCC1)C(N)=O ZINC001180586076 1068718784 /nfs/dbraw/zinc/71/87/84/1068718784.db2.gz NZLOMNBAALMSJD-XWSJACJDSA-N 1 1 466.627 -0.298 20 0 JBADMO NC(=O)C1CCN(CCC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001180609174 1068720614 /nfs/dbraw/zinc/72/06/14/1068720614.db2.gz PQSBQHRFFXRFRP-ZWKOTPCHSA-N 1 1 476.603 -0.595 20 0 JBADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001180757573 1068722353 /nfs/dbraw/zinc/72/23/53/1068722353.db2.gz GNAPMPGCQBVVAL-YDHSSHFGSA-N 1 1 458.563 -0.289 20 0 JBADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001180757573 1068722338 /nfs/dbraw/zinc/72/23/38/1068722338.db2.gz GNAPMPGCQBVVAL-YDHSSHFGSA-N 1 1 458.563 -0.289 20 0 JBADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001180757574 1068722565 /nfs/dbraw/zinc/72/25/65/1068722565.db2.gz GNAPMPGCQBVVAL-YYDVJCTNSA-N 1 1 458.563 -0.289 20 0 JBADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001180757574 1068722549 /nfs/dbraw/zinc/72/25/49/1068722549.db2.gz GNAPMPGCQBVVAL-YYDVJCTNSA-N 1 1 458.563 -0.289 20 0 JBADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(N)=O)C1 ZINC001180762669 1068723387 /nfs/dbraw/zinc/72/33/87/1068723387.db2.gz OVGQFIVCPKHYDY-LVEJAMMSSA-N 1 1 498.650 -0.701 20 0 JBADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(N)=O)C1 ZINC001180762669 1068723379 /nfs/dbraw/zinc/72/33/79/1068723379.db2.gz OVGQFIVCPKHYDY-LVEJAMMSSA-N 1 1 498.650 -0.701 20 0 JBADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(N)=O)C1 ZINC001180762671 1068723139 /nfs/dbraw/zinc/72/31/39/1068723139.db2.gz OVGQFIVCPKHYDY-WSRJKRBPSA-N 1 1 498.650 -0.701 20 0 JBADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(N)=O)C1 ZINC001180762671 1068723122 /nfs/dbraw/zinc/72/31/22/1068723122.db2.gz OVGQFIVCPKHYDY-WSRJKRBPSA-N 1 1 498.650 -0.701 20 0 JBADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001180762828 1068723194 /nfs/dbraw/zinc/72/31/94/1068723194.db2.gz GICBERDHTPTPML-PJDYVGSDSA-N 1 1 488.497 -0.812 20 0 JBADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001180762828 1068723185 /nfs/dbraw/zinc/72/31/85/1068723185.db2.gz GICBERDHTPTPML-PJDYVGSDSA-N 1 1 488.497 -0.812 20 0 JBADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001180762829 1068723366 /nfs/dbraw/zinc/72/33/66/1068723366.db2.gz GICBERDHTPTPML-ZZDIOYDHSA-N 1 1 488.497 -0.812 20 0 JBADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001180762829 1068723363 /nfs/dbraw/zinc/72/33/63/1068723363.db2.gz GICBERDHTPTPML-ZZDIOYDHSA-N 1 1 488.497 -0.812 20 0 JBADMO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001181412693 1068730267 /nfs/dbraw/zinc/73/02/67/1068730267.db2.gz CCKNPTNBXIBRHV-FXAWDEMLSA-N 1 1 454.549 -0.393 20 0 JBADMO COCCN1C(=O)c2ccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2S1(=O)=O ZINC001181413334 1068730384 /nfs/dbraw/zinc/73/03/84/1068730384.db2.gz MPIYKKYRVXLKER-MGPUTAFESA-N 1 1 453.517 -0.567 20 0 JBADMO COCCN1C(=O)c2ccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2S1(=O)=O ZINC001181413334 1068730378 /nfs/dbraw/zinc/73/03/78/1068730378.db2.gz MPIYKKYRVXLKER-MGPUTAFESA-N 1 1 453.517 -0.567 20 0 JBADMO C[NH+]1CCN(C(=O)CNC(=O)c2cc(I)ccc2-n2cnnn2)CC1 ZINC001181485255 1068732707 /nfs/dbraw/zinc/73/27/07/1068732707.db2.gz FIUZNGKANDZGEZ-UHFFFAOYSA-N 1 1 455.260 -0.229 20 0 JBADMO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)c(=O)n1 ZINC001181494460 1068732036 /nfs/dbraw/zinc/73/20/36/1068732036.db2.gz LDHJAFYMEKGNET-KJPPMPAASA-N 1 1 455.515 -0.142 20 0 JBADMO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)c(=O)n1 ZINC001181494460 1068732025 /nfs/dbraw/zinc/73/20/25/1068732025.db2.gz LDHJAFYMEKGNET-KJPPMPAASA-N 1 1 455.515 -0.142 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC[NH+](CC1)CC3)c(N)nc2=O ZINC001181553167 1068733368 /nfs/dbraw/zinc/73/33/68/1068733368.db2.gz UMPXFCLTSQPKAZ-GJZGRUSLSA-N 1 1 491.549 -0.837 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC[NH+](CC1)CC3)c(N)nc2=O ZINC001181553168 1068733307 /nfs/dbraw/zinc/73/33/07/1068733307.db2.gz UMPXFCLTSQPKAZ-LSDHHAIUSA-N 1 1 491.549 -0.837 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982263 1068738652 /nfs/dbraw/zinc/73/86/52/1068738652.db2.gz NRDBAKNFSUNMIK-HRCADAONSA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982263 1068738644 /nfs/dbraw/zinc/73/86/44/1068738644.db2.gz NRDBAKNFSUNMIK-HRCADAONSA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982264 1068738679 /nfs/dbraw/zinc/73/86/79/1068738679.db2.gz NRDBAKNFSUNMIK-JYJNAYRXSA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982264 1068738670 /nfs/dbraw/zinc/73/86/70/1068738670.db2.gz NRDBAKNFSUNMIK-JYJNAYRXSA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982265 1068739023 /nfs/dbraw/zinc/73/90/23/1068739023.db2.gz NRDBAKNFSUNMIK-OWCLPIDISA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982265 1068739011 /nfs/dbraw/zinc/73/90/11/1068739011.db2.gz NRDBAKNFSUNMIK-OWCLPIDISA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982266 1068739155 /nfs/dbraw/zinc/73/91/55/1068739155.db2.gz NRDBAKNFSUNMIK-PMPSAXMXSA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982266 1068739149 /nfs/dbraw/zinc/73/91/49/1068739149.db2.gz NRDBAKNFSUNMIK-PMPSAXMXSA-N 1 1 493.565 -0.593 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C)CC[NH+](C)CC1)c(N)nc2=O ZINC001181989993 1068739197 /nfs/dbraw/zinc/73/91/97/1068739197.db2.gz GLEQFKNFCSEJTM-GJZGRUSLSA-N 1 1 493.565 -0.591 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C)CC[NH+](C)CC1)c(N)nc2=O ZINC001181989994 1068739054 /nfs/dbraw/zinc/73/90/54/1068739054.db2.gz GLEQFKNFCSEJTM-LSDHHAIUSA-N 1 1 493.565 -0.591 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016212 1068739853 /nfs/dbraw/zinc/73/98/53/1068739853.db2.gz DINLEPSYCKFGEP-ARFHVFGLSA-N 1 1 491.549 -0.981 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016215 1068739785 /nfs/dbraw/zinc/73/97/85/1068739785.db2.gz DINLEPSYCKFGEP-HRCADAONSA-N 1 1 491.549 -0.981 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016217 1068739949 /nfs/dbraw/zinc/73/99/49/1068739949.db2.gz DINLEPSYCKFGEP-JYJNAYRXSA-N 1 1 491.549 -0.981 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016220 1068739886 /nfs/dbraw/zinc/73/98/86/1068739886.db2.gz DINLEPSYCKFGEP-XHSDSOJGSA-N 1 1 491.549 -0.981 20 0 JBADMO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC001182542701 1068748900 /nfs/dbraw/zinc/74/89/00/1068748900.db2.gz HEVCYUMEUZTMCZ-AWJATLGSSA-N 1 1 471.554 -0.711 20 0 JBADMO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC001182542702 1068748793 /nfs/dbraw/zinc/74/87/93/1068748793.db2.gz HEVCYUMEUZTMCZ-MNSHYSIASA-N 1 1 471.554 -0.711 20 0 JBADMO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC001182542703 1068749089 /nfs/dbraw/zinc/74/90/89/1068749089.db2.gz HEVCYUMEUZTMCZ-QULIQSTESA-N 1 1 471.554 -0.711 20 0 JBADMO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC001182542704 1068749049 /nfs/dbraw/zinc/74/90/49/1068749049.db2.gz HEVCYUMEUZTMCZ-VSHXEECHSA-N 1 1 471.554 -0.711 20 0 JBADMO [NH3+][C@@H]1NCN(C(=O)CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)[C@H]2NCN[C@@H]21 ZINC001183003840 1068755573 /nfs/dbraw/zinc/75/55/73/1068755573.db2.gz MWAOMHREPFGWAO-GUDVDZBRSA-N 1 1 450.952 -0.196 20 0 JBADMO [NH3+][C@@H]1NCN(C(=O)CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)[C@H]2NCN[C@H]21 ZINC001183003853 1068755526 /nfs/dbraw/zinc/75/55/26/1068755526.db2.gz MWAOMHREPFGWAO-IPMKNSEASA-N 1 1 450.952 -0.196 20 0 JBADMO [NH3+][C@@H]1NCN(C(=O)CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)[C@@H]2NCN[C@H]21 ZINC001183003857 1068755675 /nfs/dbraw/zinc/75/56/75/1068755675.db2.gz MWAOMHREPFGWAO-OTWHNJEPSA-N 1 1 450.952 -0.196 20 0 JBADMO [NH3+][C@@H]1NCN(C(=O)CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)[C@@H]2NCN[C@@H]21 ZINC001183003860 1068755739 /nfs/dbraw/zinc/75/57/39/1068755739.db2.gz MWAOMHREPFGWAO-QRVBRYPASA-N 1 1 450.952 -0.196 20 0 JBADMO COc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001183145255 1068760376 /nfs/dbraw/zinc/76/03/76/1068760376.db2.gz NZNADXMXEYPEOU-AABGKKOBSA-N 1 1 462.532 -0.715 20 0 JBADMO COc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001183145256 1068760284 /nfs/dbraw/zinc/76/02/84/1068760284.db2.gz NZNADXMXEYPEOU-HSALFYBXSA-N 1 1 462.532 -0.715 20 0 JBADMO COc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001183145258 1068760302 /nfs/dbraw/zinc/76/03/02/1068760302.db2.gz NZNADXMXEYPEOU-SLFFLAALSA-N 1 1 462.532 -0.715 20 0 JBADMO COc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001183145259 1068760197 /nfs/dbraw/zinc/76/01/97/1068760197.db2.gz NZNADXMXEYPEOU-UFYCRDLUSA-N 1 1 462.532 -0.715 20 0 JBADMO CCN1CCN(C(=O)N[C@@H](C(=O)NCCN2CCC[N@@H+](C)CC2)c2ccccc2)C(=O)C1=O ZINC001183156330 1068762267 /nfs/dbraw/zinc/76/22/67/1068762267.db2.gz SMLNTDQGLKXGMZ-LJQANCHMSA-N 1 1 458.563 -0.118 20 0 JBADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C(O)C(F)(F)F)C(N)=O ZINC001183200597 1068764086 /nfs/dbraw/zinc/76/40/86/1068764086.db2.gz FAKQRSAAFUUMSZ-XUXIUFHCSA-N 1 1 467.489 -0.860 20 0 JBADMO CCCN(CCC)C(=O)[C@H](CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)NC(=O)c1ccccc1 ZINC001183241505 1068763907 /nfs/dbraw/zinc/76/39/07/1068763907.db2.gz FVVBHJNBMODGIP-FYZZASKESA-N 1 1 459.595 -0.267 20 0 JBADMO CCCN(CCC)C(=O)[C@H](CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)NC(=O)c1ccccc1 ZINC001183241508 1068763860 /nfs/dbraw/zinc/76/38/60/1068763860.db2.gz FVVBHJNBMODGIP-NRDMVMEKSA-N 1 1 459.595 -0.267 20 0 JBADMO CCCN(CCC)C(=O)[C@H](CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)NC(=O)c1ccccc1 ZINC001183241509 1068763738 /nfs/dbraw/zinc/76/37/38/1068763738.db2.gz FVVBHJNBMODGIP-VMXMFDLUSA-N 1 1 459.595 -0.267 20 0 JBADMO CCCN(CCC)C(=O)[C@H](CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)NC(=O)c1ccccc1 ZINC001183241511 1068763893 /nfs/dbraw/zinc/76/38/93/1068763893.db2.gz FVVBHJNBMODGIP-ZIBCJSCZSA-N 1 1 459.595 -0.267 20 0 JBADMO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001183320928 1068765017 /nfs/dbraw/zinc/76/50/17/1068765017.db2.gz GIMSZDQVPFNDRC-APIJFGDWSA-N 1 1 455.560 -0.638 20 0 JBADMO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001183320929 1068764463 /nfs/dbraw/zinc/76/44/63/1068764463.db2.gz GIMSZDQVPFNDRC-CBBWQLFWSA-N 1 1 455.560 -0.638 20 0 JBADMO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001183320931 1068764980 /nfs/dbraw/zinc/76/49/80/1068764980.db2.gz GIMSZDQVPFNDRC-KBXIAJHMSA-N 1 1 455.560 -0.638 20 0 JBADMO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001183320933 1068764751 /nfs/dbraw/zinc/76/47/51/1068764751.db2.gz GIMSZDQVPFNDRC-QPSCCSFWSA-N 1 1 455.560 -0.638 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)c(N)nc2=O ZINC001183373770 1068765618 /nfs/dbraw/zinc/76/56/18/1068765618.db2.gz GXZAZNRSIRPVFY-LJISPDSOSA-N 1 1 479.538 -0.983 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)c(N)nc2=O ZINC001183373771 1068765802 /nfs/dbraw/zinc/76/58/02/1068765802.db2.gz GXZAZNRSIRPVFY-XGUBFFRZSA-N 1 1 479.538 -0.983 20 0 JBADMO COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)CS2)c(O)c1 ZINC001183418855 1068767344 /nfs/dbraw/zinc/76/73/44/1068767344.db2.gz YUVHZTJRBPVIJL-BMQTXXJKSA-N 1 1 480.591 -0.795 20 0 JBADMO COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)CS2)c(O)c1 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20 0 JBADMO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001183794331 1068776730 /nfs/dbraw/zinc/77/67/30/1068776730.db2.gz MMTPFHSNJFKLEW-KGZXRPSASA-N 1 1 460.502 -0.043 20 0 JBADMO C[C@@H]1O[C@@H](OCCNC(=O)C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183817638 1068776686 /nfs/dbraw/zinc/77/66/86/1068776686.db2.gz PYNYDWRNPOLZEH-CWEKIYPSSA-N 1 1 461.556 -0.722 20 0 JBADMO C[C@@H]1O[C@@H](OCCNC(=O)C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183817638 1068776677 /nfs/dbraw/zinc/77/66/77/1068776677.db2.gz PYNYDWRNPOLZEH-CWEKIYPSSA-N 1 1 461.556 -0.722 20 0 JBADMO C[C@@H]1O[C@@H](OCCNC(=O)C[N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183817640 1068777084 /nfs/dbraw/zinc/77/70/84/1068777084.db2.gz PYNYDWRNPOLZEH-XZMJZXCTSA-N 1 1 461.556 -0.722 20 0 JBADMO C[C@@H]1O[C@@H](OCCNC(=O)C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](O)[C@H](O)[C@@H]1O 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20 0 JBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC001192043597 1068904456 /nfs/dbraw/zinc/90/44/56/1068904456.db2.gz UVUCTAYRVPRBRB-SCTDSRPQSA-N 1 1 452.577 -0.483 20 0 JBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC001192043598 1068904330 /nfs/dbraw/zinc/90/43/30/1068904330.db2.gz UVUCTAYRVPRBRB-YQVWRLOYSA-N 1 1 452.577 -0.483 20 0 JBADMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001192381347 1068906602 /nfs/dbraw/zinc/90/66/02/1068906602.db2.gz WPHZRMGSQDNFBC-IBGZPJMESA-N 1 1 457.524 -0.096 20 0 JBADMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001192381349 1068906675 /nfs/dbraw/zinc/90/66/75/1068906675.db2.gz WPHZRMGSQDNFBC-LJQANCHMSA-N 1 1 457.524 -0.096 20 0 JBADMO NS(=O)(=O)CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC001192976138 1068909854 /nfs/dbraw/zinc/90/98/54/1068909854.db2.gz LCKSILSGXRYTLT-UHFFFAOYSA-N 1 1 458.606 -0.339 20 0 JBADMO 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COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1=O ZINC001193729715 1068916797 /nfs/dbraw/zinc/91/67/97/1068916797.db2.gz IGHDHPLLSWWRTM-ZDUSSCGKSA-N 1 1 451.542 -0.313 20 0 JBADMO CS(=O)(=O)NCC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001194232035 1068920296 /nfs/dbraw/zinc/92/02/96/1068920296.db2.gz SCKZGEIILQOQSL-UHFFFAOYSA-N 1 1 458.606 -0.219 20 0 JBADMO C[C@@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC001194411043 1068921800 /nfs/dbraw/zinc/92/18/00/1068921800.db2.gz XSXQZXGZGXHFOD-HDICACEKSA-N 1 1 454.593 -0.289 20 0 JBADMO C[NH+]1CCN(c2ccc(C(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)cc2Cl)CC1 ZINC001194690244 1068924286 /nfs/dbraw/zinc/92/42/86/1068924286.db2.gz LGQGZTGDUOJXSG-DLVXIWMQSA-N 1 1 478.937 -0.477 20 0 JBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](CC(N)=O)C3)CC2)cc1OC ZINC001194846452 1068926280 /nfs/dbraw/zinc/92/62/80/1068926280.db2.gz NAPROXXWQRABJT-HNNXBMFYSA-N 1 1 454.549 -0.266 20 0 JBADMO 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CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc2)CC1 ZINC001195976223 1068934002 /nfs/dbraw/zinc/93/40/02/1068934002.db2.gz FXFBVAMNYKNCGE-CEXWTWQISA-N 1 1 473.578 -0.051 20 0 JBADMO CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc2)CC1 ZINC001195976225 1068933865 /nfs/dbraw/zinc/93/38/65/1068933865.db2.gz FXFBVAMNYKNCGE-FHWLQOOXSA-N 1 1 473.578 -0.051 20 0 JBADMO CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc2)CC1 ZINC001195976227 1068934048 /nfs/dbraw/zinc/93/40/48/1068934048.db2.gz FXFBVAMNYKNCGE-GBESFXJTSA-N 1 1 473.578 -0.051 20 0 JBADMO CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc2)CC1 ZINC001195976229 1068933984 /nfs/dbraw/zinc/93/39/84/1068933984.db2.gz FXFBVAMNYKNCGE-QYZOEREBSA-N 1 1 473.578 -0.051 20 0 JBADMO CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc2)CC1 ZINC001195985090 1068933815 /nfs/dbraw/zinc/93/38/15/1068933815.db2.gz LYTJUMMJGKKHNX-CEXWTWQISA-N 1 1 473.578 -0.051 20 0 JBADMO CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc2)CC1 ZINC001195985091 1068934017 /nfs/dbraw/zinc/93/40/17/1068934017.db2.gz LYTJUMMJGKKHNX-FHWLQOOXSA-N 1 1 473.578 -0.051 20 0 JBADMO CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc2)CC1 ZINC001195985092 1068934093 /nfs/dbraw/zinc/93/40/93/1068934093.db2.gz LYTJUMMJGKKHNX-GBESFXJTSA-N 1 1 473.578 -0.051 20 0 JBADMO CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc2)CC1 ZINC001195985093 1068933913 /nfs/dbraw/zinc/93/39/13/1068933913.db2.gz LYTJUMMJGKKHNX-QYZOEREBSA-N 1 1 473.578 -0.051 20 0 JBADMO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)cc(C(N)=O)o2)[C@H](O)OC(C)(C)C)C1 ZINC001196209744 1068936486 /nfs/dbraw/zinc/93/64/86/1068936486.db2.gz QEEUZHCHNLHDER-ACTUHIPCSA-N 1 1 454.524 -0.352 20 0 JBADMO 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HJIQLMYKMDKLJH-CIAFKFPVSA-N 1 1 491.610 -0.013 20 0 JBADMO O=C(c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001197598756 1068945908 /nfs/dbraw/zinc/94/59/08/1068945908.db2.gz HJIQLMYKMDKLJH-GXRSIYKFSA-N 1 1 491.610 -0.013 20 0 JBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(=O)NCC(N)=O ZINC001197609160 1068945950 /nfs/dbraw/zinc/94/59/50/1068945950.db2.gz YTEXJCURGXEOJQ-HKBOAZHASA-N 1 1 487.601 -0.010 20 0 JBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197628144 1068945800 /nfs/dbraw/zinc/94/58/00/1068945800.db2.gz MHAUNHGNFANHEI-AABGKKOBSA-N 1 1 454.531 -0.206 20 0 JBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197628144 1068945795 /nfs/dbraw/zinc/94/57/95/1068945795.db2.gz MHAUNHGNFANHEI-AABGKKOBSA-N 1 1 454.531 -0.206 20 0 JBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197628144 1068945794 /nfs/dbraw/zinc/94/57/94/1068945794.db2.gz MHAUNHGNFANHEI-AABGKKOBSA-N 1 1 454.531 -0.206 20 0 JBADMO C[NH+]1CCN(c2cnccc2C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001198145772 1068950680 /nfs/dbraw/zinc/95/06/80/1068950680.db2.gz ITMUJWPMYHSXQI-FBBABVLZSA-N 1 1 491.614 -0.433 20 0 JBADMO C[NH+]1CCN(c2cnccc2C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001198145773 1068950592 /nfs/dbraw/zinc/95/05/92/1068950592.db2.gz ITMUJWPMYHSXQI-YFVAEKQCSA-N 1 1 491.614 -0.433 20 0 JBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccncc1N1CC[NH+](C)CC1)C(=O)NCC(N)=O ZINC001198147558 1068950638 /nfs/dbraw/zinc/95/06/38/1068950638.db2.gz QDDJALMSCHULCV-OALUTQOASA-N 1 1 487.605 -0.430 20 0 JBADMO C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)CC1 ZINC001198153058 1068951287 /nfs/dbraw/zinc/95/12/87/1068951287.db2.gz LMVOGVLMDAJBKU-KPUUQYQLSA-N 1 1 490.582 -0.022 20 0 JBADMO C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1 ZINC001198153061 1068951146 /nfs/dbraw/zinc/95/11/46/1068951146.db2.gz LMVOGVLMDAJBKU-MKQKURRLSA-N 1 1 490.582 -0.022 20 0 JBADMO C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)CC1 ZINC001198153063 1068951341 /nfs/dbraw/zinc/95/13/41/1068951341.db2.gz LMVOGVLMDAJBKU-RRPPUSTOSA-N 1 1 490.582 -0.022 20 0 JBADMO C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001198153065 1068951269 /nfs/dbraw/zinc/95/12/69/1068951269.db2.gz LMVOGVLMDAJBKU-YBNCXLCVSA-N 1 1 490.582 -0.022 20 0 JBADMO C[NH+]1CCN(c2cnccc2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001198157791 1068951323 /nfs/dbraw/zinc/95/13/23/1068951323.db2.gz NNJRERJCQNEZAJ-ROUUACIJSA-N 1 1 454.535 -0.626 20 0 JBADMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@H]1CS(N)(=O)=O ZINC001198241655 1068951695 /nfs/dbraw/zinc/95/16/95/1068951695.db2.gz PFBHBEMXDNVIBF-CABCVRRESA-N 1 1 462.569 -0.485 20 0 JBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001199261077 1068960487 /nfs/dbraw/zinc/96/04/87/1068960487.db2.gz UJVBVEJKBRAHDG-UHFFFAOYSA-N 1 1 454.553 -0.305 20 0 JBADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cnccc1N(C)C)C(N)=O ZINC001199355908 1068961186 /nfs/dbraw/zinc/96/11/86/1068961186.db2.gz PDLUGZFTRLIEBE-IHPCNDPISA-N 1 1 489.621 -0.008 20 0 JBADMO C[NH+]1CCN(c2ccncc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)CC1 ZINC001199358656 1068961068 /nfs/dbraw/zinc/96/10/68/1068961068.db2.gz AHVFSSNMFSRHFN-KPUUQYQLSA-N 1 1 490.582 -0.022 20 0 JBADMO C[NH+]1CCN(c2ccncc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1 ZINC001199358657 1068961205 /nfs/dbraw/zinc/96/12/05/1068961205.db2.gz AHVFSSNMFSRHFN-MKQKURRLSA-N 1 1 490.582 -0.022 20 0 JBADMO C[NH+]1CCN(c2ccncc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)CC1 ZINC001199358658 1068961141 /nfs/dbraw/zinc/96/11/41/1068961141.db2.gz AHVFSSNMFSRHFN-RRPPUSTOSA-N 1 1 490.582 -0.022 20 0 JBADMO C[NH+]1CCN(c2ccncc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001199358659 1068961237 /nfs/dbraw/zinc/96/12/37/1068961237.db2.gz AHVFSSNMFSRHFN-YBNCXLCVSA-N 1 1 490.582 -0.022 20 0 JBADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC001199820454 1068964707 /nfs/dbraw/zinc/96/47/07/1068964707.db2.gz BMMMTWHUGPXMOK-INIZCTEOSA-N 1 1 450.521 -0.219 20 0 JBADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC001199820454 1068964706 /nfs/dbraw/zinc/96/47/06/1068964706.db2.gz BMMMTWHUGPXMOK-INIZCTEOSA-N 1 1 450.521 -0.219 20 0 JBADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC001199820456 1068964515 /nfs/dbraw/zinc/96/45/15/1068964515.db2.gz BMMMTWHUGPXMOK-MRXNPFEDSA-N 1 1 450.521 -0.219 20 0 JBADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC001199820456 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CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246207199 1069640164 /nfs/dbraw/zinc/64/01/64/1069640164.db2.gz CAPXFUFHIXDLEL-BQJWPVKWSA-N 1 1 477.566 -0.118 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246207200 1069640114 /nfs/dbraw/zinc/64/01/14/1069640114.db2.gz CAPXFUFHIXDLEL-JZAWBGDQSA-N 1 1 477.566 -0.118 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246207203 1069640183 /nfs/dbraw/zinc/64/01/83/1069640183.db2.gz CAPXFUFHIXDLEL-QEOTZNIISA-N 1 1 477.566 -0.118 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207888 1069640087 /nfs/dbraw/zinc/64/00/87/1069640087.db2.gz GHHKJSZTVGPQBR-LTIDMASMSA-N 1 1 479.582 -0.014 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207907 1069640127 /nfs/dbraw/zinc/64/01/27/1069640127.db2.gz GHHKJSZTVGPQBR-LUKYLMHMSA-N 1 1 479.582 -0.014 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207909 1069640845 /nfs/dbraw/zinc/64/08/45/1069640845.db2.gz GHHKJSZTVGPQBR-QAETUUGQSA-N 1 1 479.582 -0.014 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207910 1069640860 /nfs/dbraw/zinc/64/08/60/1069640860.db2.gz GHHKJSZTVGPQBR-QZWWFDLISA-N 1 1 479.582 -0.014 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208260 1069640762 /nfs/dbraw/zinc/64/07/62/1069640762.db2.gz HLPDWTMLKKGZKG-ILXRZTDVSA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208265 1069640998 /nfs/dbraw/zinc/64/09/98/1069640998.db2.gz HLPDWTMLKKGZKG-KKUMJFAQSA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208267 1069640726 /nfs/dbraw/zinc/64/07/26/1069640726.db2.gz HLPDWTMLKKGZKG-QLFBSQMISA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208269 1069640828 /nfs/dbraw/zinc/64/08/28/1069640828.db2.gz HLPDWTMLKKGZKG-SOUVJXGZSA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208370 1069640799 /nfs/dbraw/zinc/64/07/99/1069640799.db2.gz HZVJSOFJLPQAAN-HRCADAONSA-N 1 1 477.566 -0.116 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208376 1069640923 /nfs/dbraw/zinc/64/09/23/1069640923.db2.gz HZVJSOFJLPQAAN-JYJNAYRXSA-N 1 1 477.566 -0.116 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208381 1069640895 /nfs/dbraw/zinc/64/08/95/1069640895.db2.gz HZVJSOFJLPQAAN-OWCLPIDISA-N 1 1 477.566 -0.116 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208383 1069640784 /nfs/dbraw/zinc/64/07/84/1069640784.db2.gz HZVJSOFJLPQAAN-PMPSAXMXSA-N 1 1 477.566 -0.116 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CCC3(C[NH2+]C3)CC1)c(N)nc2=O ZINC001246208636 1069640957 /nfs/dbraw/zinc/64/09/57/1069640957.db2.gz JYMCCKRDSHOZFW-HOTGVXAUSA-N 1 1 477.566 -0.259 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CCC3(C[NH2+]C3)CC1)c(N)nc2=O ZINC001246208641 1069640943 /nfs/dbraw/zinc/64/09/43/1069640943.db2.gz JYMCCKRDSHOZFW-JKSUJKDBSA-N 1 1 477.566 -0.259 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208984 1069640745 /nfs/dbraw/zinc/64/07/45/1069640745.db2.gz KNOJZPXHQAMSTO-ILXRZTDVSA-N 1 1 463.539 -0.649 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208985 1069640880 /nfs/dbraw/zinc/64/08/80/1069640880.db2.gz KNOJZPXHQAMSTO-KKUMJFAQSA-N 1 1 463.539 -0.649 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208986 1069640974 /nfs/dbraw/zinc/64/09/74/1069640974.db2.gz KNOJZPXHQAMSTO-QLFBSQMISA-N 1 1 463.539 -0.649 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208987 1069640812 /nfs/dbraw/zinc/64/08/12/1069640812.db2.gz KNOJZPXHQAMSTO-SOUVJXGZSA-N 1 1 463.539 -0.649 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210011 1069641489 /nfs/dbraw/zinc/64/14/89/1069641489.db2.gz OBFWOIZTWYWJMG-ILXRZTDVSA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210014 1069641703 /nfs/dbraw/zinc/64/17/03/1069641703.db2.gz OBFWOIZTWYWJMG-KKUMJFAQSA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210018 1069641548 /nfs/dbraw/zinc/64/15/48/1069641548.db2.gz OBFWOIZTWYWJMG-QLFBSQMISA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210019 1069641749 /nfs/dbraw/zinc/64/17/49/1069641749.db2.gz OBFWOIZTWYWJMG-SOUVJXGZSA-N 1 1 451.528 -0.649 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210348 1069641642 /nfs/dbraw/zinc/64/16/42/1069641642.db2.gz OHTZPWIVGTWRAM-AJNGGQMLSA-N 1 1 451.528 -0.650 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210350 1069641513 /nfs/dbraw/zinc/64/15/13/1069641513.db2.gz OHTZPWIVGTWRAM-APIJFGDWSA-N 1 1 451.528 -0.650 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210354 1069641519 /nfs/dbraw/zinc/64/15/19/1069641519.db2.gz OHTZPWIVGTWRAM-CBBWQLFWSA-N 1 1 451.528 -0.650 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210357 1069641476 /nfs/dbraw/zinc/64/14/76/1069641476.db2.gz OHTZPWIVGTWRAM-KBXIAJHMSA-N 1 1 451.528 -0.650 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210360 1069641687 /nfs/dbraw/zinc/64/16/87/1069641687.db2.gz OHTZPWIVGTWRAM-LJISPDSOSA-N 1 1 451.528 -0.650 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210364 1069641676 /nfs/dbraw/zinc/64/16/76/1069641676.db2.gz OHTZPWIVGTWRAM-QPSCCSFWSA-N 1 1 451.528 -0.650 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210369 1069641613 /nfs/dbraw/zinc/64/16/13/1069641613.db2.gz OHTZPWIVGTWRAM-XGUBFFRZSA-N 1 1 451.528 -0.650 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210373 1069641713 /nfs/dbraw/zinc/64/17/13/1069641713.db2.gz OHTZPWIVGTWRAM-ZQDZILKHSA-N 1 1 451.528 -0.650 20 0 JBADMO C[NH2+]C1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CC1 ZINC001246210682 1069641630 /nfs/dbraw/zinc/64/16/30/1069641630.db2.gz QHWHZYBCQXHAFC-CKUJCDMFSA-N 1 1 465.555 -0.260 20 0 JBADMO C[NH2+]C1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)CC1 ZINC001246210700 1069641569 /nfs/dbraw/zinc/64/15/69/1069641569.db2.gz QHWHZYBCQXHAFC-SSHXOBKSSA-N 1 1 465.555 -0.260 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211251 1069641663 /nfs/dbraw/zinc/64/16/63/1069641663.db2.gz RNIGDASRSFTKRZ-CQJMVSDSSA-N 1 1 463.539 -0.793 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211254 1069641597 /nfs/dbraw/zinc/64/15/97/1069641597.db2.gz RNIGDASRSFTKRZ-OTJKEOIZSA-N 1 1 463.539 -0.793 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211255 1069641728 /nfs/dbraw/zinc/64/17/28/1069641728.db2.gz RNIGDASRSFTKRZ-QRJUGERDSA-N 1 1 463.539 -0.793 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211541 1069641532 /nfs/dbraw/zinc/64/15/32/1069641532.db2.gz RNIGDASRSFTKRZ-XFIYOXNOSA-N 1 1 463.539 -0.793 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H](C)[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246211980 1069642509 /nfs/dbraw/zinc/64/25/09/1069642509.db2.gz UGXVGLMGOYVTGD-LUYZLQTOSA-N 1 1 465.555 -0.262 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246212036 1069642534 /nfs/dbraw/zinc/64/25/34/1069642534.db2.gz UGXVGLMGOYVTGD-QRJUGERDSA-N 1 1 465.555 -0.262 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H](C)[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246212040 1069642449 /nfs/dbraw/zinc/64/24/49/1069642449.db2.gz UGXVGLMGOYVTGD-VDERGJSUSA-N 1 1 465.555 -0.262 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246212043 1069642491 /nfs/dbraw/zinc/64/24/91/1069642491.db2.gz UGXVGLMGOYVTGD-XFIYOXNOSA-N 1 1 465.555 -0.262 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212988 1069642469 /nfs/dbraw/zinc/64/24/69/1069642469.db2.gz XPHNWGFEQLKULR-ILXRZTDVSA-N 1 1 465.555 -0.260 20 0 JBADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212990 1069642543 /nfs/dbraw/zinc/64/25/43/1069642543.db2.gz XPHNWGFEQLKULR-KKUMJFAQSA-N 1 1 465.555 -0.260 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212992 1069642421 /nfs/dbraw/zinc/64/24/21/1069642421.db2.gz XPHNWGFEQLKULR-QLFBSQMISA-N 1 1 465.555 -0.260 20 0 JBADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212994 1069642515 /nfs/dbraw/zinc/64/25/15/1069642515.db2.gz XPHNWGFEQLKULR-SOUVJXGZSA-N 1 1 465.555 -0.260 20 0 JBADMO 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XIWFWKCQXFBJJD-ZWOKBUDYSA-N 1 1 457.597 -0.123 20 0 JBADMO CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001288365110 1069865193 /nfs/dbraw/zinc/86/51/93/1069865193.db2.gz XIWFWKCQXFBJJD-ZWOKBUDYSA-N 1 1 457.597 -0.123 20 0 JBADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)CC1 ZINC001288408603 1069865370 /nfs/dbraw/zinc/86/53/70/1069865370.db2.gz GMMCLTXHDDKTPW-UHFFFAOYSA-N 1 1 463.583 -0.080 20 0 JBADMO CC(C)OCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409151 1069866175 /nfs/dbraw/zinc/86/61/75/1069866175.db2.gz NEUBJKWXTIVMHH-FXAWDEMLSA-N 1 1 473.644 -0.498 20 0 JBADMO CC(C)OCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409152 1069865978 /nfs/dbraw/zinc/86/59/78/1069865978.db2.gz NEUBJKWXTIVMHH-PXNSSMCTSA-N 1 1 473.644 -0.498 20 0 JBADMO CC(C)OCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409153 1069866345 /nfs/dbraw/zinc/86/63/45/1069866345.db2.gz NEUBJKWXTIVMHH-XLIONFOSSA-N 1 1 473.644 -0.498 20 0 JBADMO CC(C)OCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409155 1069865876 /nfs/dbraw/zinc/86/58/76/1069865876.db2.gz NEUBJKWXTIVMHH-YLJYHZDGSA-N 1 1 473.644 -0.498 20 0 JBADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288539776 1069866555 /nfs/dbraw/zinc/86/65/55/1069866555.db2.gz UQANUDQDHVCMES-BTYIYWSLSA-N 1 1 479.607 -0.038 20 0 JBADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288539777 1069866071 /nfs/dbraw/zinc/86/60/71/1069866071.db2.gz UQANUDQDHVCMES-QVKFZJNVSA-N 1 1 479.607 -0.038 20 0 JBADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288539780 1069866137 /nfs/dbraw/zinc/86/61/37/1069866137.db2.gz UQANUDQDHVCMES-VFNWGFHPSA-N 1 1 479.607 -0.038 20 0 JBADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288539783 1069867303 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ZINC001288699067 1069868916 /nfs/dbraw/zinc/86/89/16/1069868916.db2.gz DQDDZOWYSIEEHQ-GOSISDBHSA-N 1 1 483.639 -0.046 20 0 JBADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001288699068 1069869340 /nfs/dbraw/zinc/86/93/40/1069869340.db2.gz DQDDZOWYSIEEHQ-SFHVURJKSA-N 1 1 483.639 -0.046 20 0 JBADMO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C)C[NH+]1CCOCC1 ZINC001288705306 1069868755 /nfs/dbraw/zinc/86/87/55/1069868755.db2.gz NHZVUDZPEKRXRT-BZUAXINKSA-N 1 1 457.601 -0.477 20 0 JBADMO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C)C[NH+]1CCOCC1 ZINC001288705307 1069869394 /nfs/dbraw/zinc/86/93/94/1069869394.db2.gz NHZVUDZPEKRXRT-OAGGEKHMSA-N 1 1 457.601 -0.477 20 0 JBADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C)C[NH+]1CCOCC1 ZINC001288705308 1069869111 /nfs/dbraw/zinc/86/91/11/1069869111.db2.gz NHZVUDZPEKRXRT-OWCLPIDISA-N 1 1 457.601 -0.477 20 0 JBADMO 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DPGLCIDZCUDBMT-DYESRHJHSA-N 1 1 487.671 -0.251 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288775440 1069872527 /nfs/dbraw/zinc/87/25/27/1069872527.db2.gz DPGLCIDZCUDBMT-LAUBAEHRSA-N 1 1 487.671 -0.251 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288775441 1069873055 /nfs/dbraw/zinc/87/30/55/1069873055.db2.gz DPGLCIDZCUDBMT-UTKZUKDTSA-N 1 1 487.671 -0.251 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288775445 1069873252 /nfs/dbraw/zinc/87/32/52/1069873252.db2.gz DPGLCIDZCUDBMT-UWJYYQICSA-N 1 1 487.671 -0.251 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001288776549 1069872894 /nfs/dbraw/zinc/87/28/94/1069872894.db2.gz OVVJAWYKPFMFSP-HNNXBMFYSA-N 1 1 459.617 -0.039 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001288776550 1069872776 /nfs/dbraw/zinc/87/27/76/1069872776.db2.gz OVVJAWYKPFMFSP-OAHLLOKOSA-N 1 1 459.617 -0.039 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001288776986 1069873854 /nfs/dbraw/zinc/87/38/54/1069873854.db2.gz TZLFLPASHILDBC-CVEARBPZSA-N 1 1 480.595 -0.358 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001288776988 1069873807 /nfs/dbraw/zinc/87/38/07/1069873807.db2.gz TZLFLPASHILDBC-HOTGVXAUSA-N 1 1 480.595 -0.358 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001288776990 1069874076 /nfs/dbraw/zinc/87/40/76/1069874076.db2.gz TZLFLPASHILDBC-HZPDHXFCSA-N 1 1 480.595 -0.358 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001288776992 1069873980 /nfs/dbraw/zinc/87/39/80/1069873980.db2.gz TZLFLPASHILDBC-JKSUJKDBSA-N 1 1 480.595 -0.358 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288784066 1069874751 /nfs/dbraw/zinc/87/47/51/1069874751.db2.gz ITGIWNNDPOXQME-PXAZEXFGSA-N 1 1 460.992 -0.022 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288784067 1069874959 /nfs/dbraw/zinc/87/49/59/1069874959.db2.gz ITGIWNNDPOXQME-SJCJKPOMSA-N 1 1 460.992 -0.022 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288784068 1069874489 /nfs/dbraw/zinc/87/44/89/1069874489.db2.gz ITGIWNNDPOXQME-SJKOYZFVSA-N 1 1 460.992 -0.022 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288784069 1069874881 /nfs/dbraw/zinc/87/48/81/1069874881.db2.gz ITGIWNNDPOXQME-YVEFUNNKSA-N 1 1 460.992 -0.022 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(O)CCOCC1 ZINC001288789161 1069875162 /nfs/dbraw/zinc/87/51/62/1069875162.db2.gz AEDHOBQXBDCSHN-INIZCTEOSA-N 1 1 474.628 -0.023 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(O)CCOCC1 ZINC001288789161 1069875140 /nfs/dbraw/zinc/87/51/40/1069875140.db2.gz AEDHOBQXBDCSHN-INIZCTEOSA-N 1 1 474.628 -0.023 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(O)CCOCC1 ZINC001288789166 1069875054 /nfs/dbraw/zinc/87/50/54/1069875054.db2.gz AEDHOBQXBDCSHN-MRXNPFEDSA-N 1 1 474.628 -0.023 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(O)CCOCC1 ZINC001288789166 1069875040 /nfs/dbraw/zinc/87/50/40/1069875040.db2.gz AEDHOBQXBDCSHN-MRXNPFEDSA-N 1 1 474.628 -0.023 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288792914 1069875474 /nfs/dbraw/zinc/87/54/74/1069875474.db2.gz UAVLGRJZAFNLDK-AXVVYFOYSA-N 1 1 473.644 -0.500 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288792918 1069875933 /nfs/dbraw/zinc/87/59/33/1069875933.db2.gz UAVLGRJZAFNLDK-CLWJZODNSA-N 1 1 473.644 -0.500 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288792920 1069876125 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C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1COCCO1 ZINC001288794442 1069876290 /nfs/dbraw/zinc/87/62/90/1069876290.db2.gz OSTSAXJPNXJHMQ-VVLHAWIVSA-N 1 1 460.601 -0.151 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001288794443 1069875795 /nfs/dbraw/zinc/87/57/95/1069875795.db2.gz OSTSAXJPNXJHMQ-YVSFHVDLSA-N 1 1 460.601 -0.151 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001288794443 1069875781 /nfs/dbraw/zinc/87/57/81/1069875781.db2.gz OSTSAXJPNXJHMQ-YVSFHVDLSA-N 1 1 460.601 -0.151 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1COCCO1 ZINC001288794444 1069875633 /nfs/dbraw/zinc/87/56/33/1069875633.db2.gz OSTSAXJPNXJHMQ-YYIAUSFCSA-N 1 1 460.601 -0.151 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1COCCO1 ZINC001288794444 1069875617 /nfs/dbraw/zinc/87/56/17/1069875617.db2.gz OSTSAXJPNXJHMQ-YYIAUSFCSA-N 1 1 460.601 -0.151 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001288800259 1069876901 /nfs/dbraw/zinc/87/69/01/1069876901.db2.gz JFGUPPOGLGNEDQ-HRCADAONSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001288800260 1069876715 /nfs/dbraw/zinc/87/67/15/1069876715.db2.gz JFGUPPOGLGNEDQ-JYJNAYRXSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001288800261 1069876950 /nfs/dbraw/zinc/87/69/50/1069876950.db2.gz JFGUPPOGLGNEDQ-OWCLPIDISA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001288800262 1069877029 /nfs/dbraw/zinc/87/70/29/1069877029.db2.gz JFGUPPOGLGNEDQ-PMPSAXMXSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806815 1069877555 /nfs/dbraw/zinc/87/75/55/1069877555.db2.gz NKTRPQUXEWXGOV-HRCADAONSA-N 1 1 475.641 -0.403 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806816 1069877395 /nfs/dbraw/zinc/87/73/95/1069877395.db2.gz NKTRPQUXEWXGOV-JYJNAYRXSA-N 1 1 475.641 -0.403 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806817 1069878563 /nfs/dbraw/zinc/87/85/63/1069878563.db2.gz NKTRPQUXEWXGOV-OWCLPIDISA-N 1 1 475.641 -0.403 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806818 1069878436 /nfs/dbraw/zinc/87/84/36/1069878436.db2.gz NKTRPQUXEWXGOV-PMPSAXMXSA-N 1 1 475.641 -0.403 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCNC(=O)C1CC1 ZINC001288814100 1069878704 /nfs/dbraw/zinc/87/87/04/1069878704.db2.gz BNVBLICNATUYGX-FOIQADDNSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCNC(=O)C1CC1 ZINC001288814105 1069878222 /nfs/dbraw/zinc/87/82/22/1069878222.db2.gz BNVBLICNATUYGX-MGPUTAFESA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCNC(=O)C1CC1 ZINC001288814108 1069878095 /nfs/dbraw/zinc/87/80/95/1069878095.db2.gz BNVBLICNATUYGX-QRWLVFNGSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCNC(=O)C1CC1 ZINC001288814113 1069878661 /nfs/dbraw/zinc/87/86/61/1069878661.db2.gz BNVBLICNATUYGX-YWZLYKJASA-N 1 1 469.612 -0.285 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001288815101 1069878293 /nfs/dbraw/zinc/87/82/93/1069878293.db2.gz HFNSACCFKXOVKZ-ARFHVFGLSA-N 1 1 457.601 -0.443 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001288815102 1069878129 /nfs/dbraw/zinc/87/81/29/1069878129.db2.gz HFNSACCFKXOVKZ-HRCADAONSA-N 1 1 457.601 -0.443 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 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C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(C)CN(C)C1=O ZINC001288816684 1069879816 /nfs/dbraw/zinc/87/98/16/1069879816.db2.gz GDFUOXWFYZNFML-YRNRMSPPSA-N 1 1 469.612 -0.475 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001288817457 1069880267 /nfs/dbraw/zinc/88/02/67/1069880267.db2.gz KOUCLXRYTZVWSX-CVEARBPZSA-N 1 1 457.601 -0.475 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001288817459 1069880076 /nfs/dbraw/zinc/88/00/76/1069880076.db2.gz KOUCLXRYTZVWSX-HOTGVXAUSA-N 1 1 457.601 -0.475 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001288817460 1069879680 /nfs/dbraw/zinc/87/96/80/1069879680.db2.gz KOUCLXRYTZVWSX-HZPDHXFCSA-N 1 1 457.601 -0.475 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001288817463 1069879904 /nfs/dbraw/zinc/87/99/04/1069879904.db2.gz KOUCLXRYTZVWSX-JKSUJKDBSA-N 1 1 457.601 -0.475 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C ZINC001288819580 1069881186 /nfs/dbraw/zinc/88/11/86/1069881186.db2.gz VWJLTOHYGBDDOU-DLBZAZTESA-N 1 1 471.628 -0.085 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C ZINC001288819582 1069880830 /nfs/dbraw/zinc/88/08/30/1069880830.db2.gz VWJLTOHYGBDDOU-IAGOWNOFSA-N 1 1 471.628 -0.085 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C ZINC001288819584 1069881290 /nfs/dbraw/zinc/88/12/90/1069881290.db2.gz VWJLTOHYGBDDOU-IRXDYDNUSA-N 1 1 471.628 -0.085 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C ZINC001288819585 1069881045 /nfs/dbraw/zinc/88/10/45/1069881045.db2.gz VWJLTOHYGBDDOU-SJORKVTESA-N 1 1 471.628 -0.085 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F ZINC001288820025 1069880689 /nfs/dbraw/zinc/88/06/89/1069880689.db2.gz YESUOFSADHIJBJ-KBPBESRZSA-N 1 1 497.544 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F ZINC001288820026 1069880884 /nfs/dbraw/zinc/88/08/84/1069880884.db2.gz YESUOFSADHIJBJ-KGLIPLIRSA-N 1 1 497.544 -0.275 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F ZINC001288820319 1069880733 /nfs/dbraw/zinc/88/07/33/1069880733.db2.gz YESUOFSADHIJBJ-UONOGXRCSA-N 1 1 497.544 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F ZINC001288820322 1069880994 /nfs/dbraw/zinc/88/09/94/1069880994.db2.gz YESUOFSADHIJBJ-ZIAGYGMSSA-N 1 1 497.544 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288820406 1069880567 /nfs/dbraw/zinc/88/05/67/1069880567.db2.gz YPLOBXYQZOLOQH-FOIQADDNSA-N 1 1 471.628 -0.350 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288820410 1069881324 /nfs/dbraw/zinc/88/13/24/1069881324.db2.gz YPLOBXYQZOLOQH-MGPUTAFESA-N 1 1 471.628 -0.350 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288820411 1069880936 /nfs/dbraw/zinc/88/09/36/1069880936.db2.gz YPLOBXYQZOLOQH-QRWLVFNGSA-N 1 1 471.628 -0.350 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288820413 1069881089 /nfs/dbraw/zinc/88/10/89/1069881089.db2.gz YPLOBXYQZOLOQH-YWZLYKJASA-N 1 1 471.628 -0.350 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001288828008 1069882777 /nfs/dbraw/zinc/88/27/77/1069882777.db2.gz CJTZVFCECYKUGU-INIZCTEOSA-N 1 1 498.654 -0.007 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001288828008 1069882762 /nfs/dbraw/zinc/88/27/62/1069882762.db2.gz CJTZVFCECYKUGU-INIZCTEOSA-N 1 1 498.654 -0.007 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001288828009 1069882493 /nfs/dbraw/zinc/88/24/93/1069882493.db2.gz CJTZVFCECYKUGU-MRXNPFEDSA-N 1 1 498.654 -0.007 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001288828009 1069882470 /nfs/dbraw/zinc/88/24/70/1069882470.db2.gz CJTZVFCECYKUGU-MRXNPFEDSA-N 1 1 498.654 -0.007 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001288828878 1069882662 /nfs/dbraw/zinc/88/26/62/1069882662.db2.gz GDUZULSQCDPEBU-KKUMJFAQSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001288828879 1069882259 /nfs/dbraw/zinc/88/22/59/1069882259.db2.gz GDUZULSQCDPEBU-RRFJBIMHSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001288828880 1069882587 /nfs/dbraw/zinc/88/25/87/1069882587.db2.gz GDUZULSQCDPEBU-SOUVJXGZSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001288828881 1069882707 /nfs/dbraw/zinc/88/27/07/1069882707.db2.gz GDUZULSQCDPEBU-ZNMIVQPWSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001288835744 1069885410 /nfs/dbraw/zinc/88/54/10/1069885410.db2.gz YXWQPDGNFVOYJN-CSODHUTKSA-N 1 1 483.639 -0.016 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001288835745 1069885743 /nfs/dbraw/zinc/88/57/43/1069885743.db2.gz YXWQPDGNFVOYJN-FIKGOQFSSA-N 1 1 483.639 -0.016 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001288835746 1069885905 /nfs/dbraw/zinc/88/59/05/1069885905.db2.gz YXWQPDGNFVOYJN-FVJLSDCUSA-N 1 1 483.639 -0.016 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001288835747 1069885624 /nfs/dbraw/zinc/88/56/24/1069885624.db2.gz YXWQPDGNFVOYJN-XGHQBKJUSA-N 1 1 483.639 -0.016 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001288840154 1069885791 /nfs/dbraw/zinc/88/57/91/1069885791.db2.gz GCFYYRKCXXWWOQ-AEFFLSMTSA-N 1 1 484.671 -0.136 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001288840155 1069885450 /nfs/dbraw/zinc/88/54/50/1069885450.db2.gz GCFYYRKCXXWWOQ-FUHWJXTLSA-N 1 1 484.671 -0.136 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001288840156 1069885689 /nfs/dbraw/zinc/88/56/89/1069885689.db2.gz GCFYYRKCXXWWOQ-SJLPKXTDSA-N 1 1 484.671 -0.136 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001288840157 1069885950 /nfs/dbraw/zinc/88/59/50/1069885950.db2.gz GCFYYRKCXXWWOQ-WMZOPIPTSA-N 1 1 484.671 -0.136 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288842620 1069886300 /nfs/dbraw/zinc/88/63/00/1069886300.db2.gz ZTHMUBDYVHBRHV-CABCVRRESA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288842620 1069886281 /nfs/dbraw/zinc/88/62/81/1069886281.db2.gz ZTHMUBDYVHBRHV-CABCVRRESA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288842621 1069886743 /nfs/dbraw/zinc/88/67/43/1069886743.db2.gz ZTHMUBDYVHBRHV-GJZGRUSLSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288842621 1069886717 /nfs/dbraw/zinc/88/67/17/1069886717.db2.gz ZTHMUBDYVHBRHV-GJZGRUSLSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288842622 1069886870 /nfs/dbraw/zinc/88/68/70/1069886870.db2.gz ZTHMUBDYVHBRHV-HUUCEWRRSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288842622 1069886853 /nfs/dbraw/zinc/88/68/53/1069886853.db2.gz ZTHMUBDYVHBRHV-HUUCEWRRSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288842623 1069886577 /nfs/dbraw/zinc/88/65/77/1069886577.db2.gz ZTHMUBDYVHBRHV-LSDHHAIUSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288842623 1069886560 /nfs/dbraw/zinc/88/65/60/1069886560.db2.gz ZTHMUBDYVHBRHV-LSDHHAIUSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001288852313 1069887962 /nfs/dbraw/zinc/88/79/62/1069887962.db2.gz MRHOQZWQSFRPTH-MSOLQXFVSA-N 1 1 499.638 -0.562 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001288852313 1069887944 /nfs/dbraw/zinc/88/79/44/1069887944.db2.gz MRHOQZWQSFRPTH-MSOLQXFVSA-N 1 1 499.638 -0.562 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001288852314 1069888027 /nfs/dbraw/zinc/88/80/27/1069888027.db2.gz MRHOQZWQSFRPTH-ROUUACIJSA-N 1 1 499.638 -0.562 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001288852314 1069888009 /nfs/dbraw/zinc/88/80/09/1069888009.db2.gz MRHOQZWQSFRPTH-ROUUACIJSA-N 1 1 499.638 -0.562 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288854628 1069888520 /nfs/dbraw/zinc/88/85/20/1069888520.db2.gz ASZXAKGCEVIHLE-CKJXQJPGSA-N 1 1 496.638 -0.891 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288854630 1069888267 /nfs/dbraw/zinc/88/82/67/1069888267.db2.gz ASZXAKGCEVIHLE-GCKMJXCFSA-N 1 1 496.638 -0.891 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288854633 1069888072 /nfs/dbraw/zinc/88/80/72/1069888072.db2.gz ASZXAKGCEVIHLE-MRUHUIDDSA-N 1 1 496.638 -0.891 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288854635 1069888403 /nfs/dbraw/zinc/88/84/03/1069888403.db2.gz ASZXAKGCEVIHLE-QYWGDWMGSA-N 1 1 496.638 -0.891 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001288855638 1069888776 /nfs/dbraw/zinc/88/87/76/1069888776.db2.gz GXWCCRRZSJYDJQ-DLBZAZTESA-N 1 1 499.638 -0.827 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001288855639 1069889219 /nfs/dbraw/zinc/88/92/19/1069889219.db2.gz GXWCCRRZSJYDJQ-IAGOWNOFSA-N 1 1 499.638 -0.827 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001288855640 1069889285 /nfs/dbraw/zinc/88/92/85/1069889285.db2.gz GXWCCRRZSJYDJQ-IRXDYDNUSA-N 1 1 499.638 -0.827 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001288855641 1069889050 /nfs/dbraw/zinc/88/90/50/1069889050.db2.gz GXWCCRRZSJYDJQ-SJORKVTESA-N 1 1 499.638 -0.827 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1cnn(C)c1 ZINC001288855931 1069889841 /nfs/dbraw/zinc/88/98/41/1069889841.db2.gz IZXPPQUSUVJVEL-DOTOQJQBSA-N 1 1 479.611 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KZRXBNNPIJSWRX-BRWVUGGUSA-N 1 1 485.611 -0.954 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H]1COCCO1 ZINC001288856036 1069890154 /nfs/dbraw/zinc/89/01/54/1069890154.db2.gz KZRXBNNPIJSWRX-GVDBMIGSSA-N 1 1 485.611 -0.954 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H]1COCCO1 ZINC001288856037 1069890520 /nfs/dbraw/zinc/89/05/20/1069890520.db2.gz KZRXBNNPIJSWRX-ZACQAIPSSA-N 1 1 485.611 -0.954 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288856604 1069891042 /nfs/dbraw/zinc/89/10/42/1069891042.db2.gz PUVYWFSMJGRVSO-HZUJVAHNSA-N 1 1 483.639 -0.208 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288856605 1069891286 /nfs/dbraw/zinc/89/12/86/1069891286.db2.gz PUVYWFSMJGRVSO-LUQKVYGDSA-N 1 1 483.639 -0.208 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@](C)(O)C1CC1 ZINC001288856606 1069891122 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ZINC001288859453 1069894834 /nfs/dbraw/zinc/89/48/34/1069894834.db2.gz LBUYRPCCEMVNDI-JKSUJKDBSA-N 1 1 484.627 -0.891 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001288861139 1069895403 /nfs/dbraw/zinc/89/54/03/1069895403.db2.gz YENLFNYYERBHFZ-BBWFWOEESA-N 1 1 471.628 -0.208 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001288861140 1069895119 /nfs/dbraw/zinc/89/51/19/1069895119.db2.gz YENLFNYYERBHFZ-GVDBMIGSSA-N 1 1 471.628 -0.208 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001288861141 1069895604 /nfs/dbraw/zinc/89/56/04/1069895604.db2.gz YENLFNYYERBHFZ-ULQDDVLXSA-N 1 1 471.628 -0.208 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001288861142 1069895694 /nfs/dbraw/zinc/89/56/94/1069895694.db2.gz YENLFNYYERBHFZ-YESZJQIVSA-N 1 1 471.628 -0.208 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001288862182 1069897194 /nfs/dbraw/zinc/89/71/94/1069897194.db2.gz HSNRVVOKUVDLCK-CVEARBPZSA-N 1 1 479.611 -0.041 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001288862186 1069897097 /nfs/dbraw/zinc/89/70/97/1069897097.db2.gz HSNRVVOKUVDLCK-HOTGVXAUSA-N 1 1 479.611 -0.041 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001288862189 1069896930 /nfs/dbraw/zinc/89/69/30/1069896930.db2.gz HSNRVVOKUVDLCK-HZPDHXFCSA-N 1 1 479.611 -0.041 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001288862192 1069897042 /nfs/dbraw/zinc/89/70/42/1069897042.db2.gz HSNRVVOKUVDLCK-JKSUJKDBSA-N 1 1 479.611 -0.041 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001288862259 1069897691 /nfs/dbraw/zinc/89/76/91/1069897691.db2.gz IJOBXWKHNZWUFX-GOSISDBHSA-N 1 1 484.671 -0.027 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001288862261 1069897756 /nfs/dbraw/zinc/89/77/56/1069897756.db2.gz IJOBXWKHNZWUFX-SFHVURJKSA-N 1 1 484.671 -0.027 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288863195 1069899568 /nfs/dbraw/zinc/89/95/68/1069899568.db2.gz OIRSLSBYCIFVTQ-JXFKEZNVSA-N 1 1 464.596 -0.324 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288863197 1069898926 /nfs/dbraw/zinc/89/89/26/1069898926.db2.gz OIRSLSBYCIFVTQ-OXJNMPFZSA-N 1 1 464.596 -0.324 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288863199 1069899168 /nfs/dbraw/zinc/89/91/68/1069899168.db2.gz OIRSLSBYCIFVTQ-OXQOHEQNSA-N 1 1 464.596 -0.324 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288863201 1069899501 /nfs/dbraw/zinc/89/95/01/1069899501.db2.gz OIRSLSBYCIFVTQ-UZLBHIALSA-N 1 1 464.596 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KYHAMZOPLLJORV-HUUCEWRRSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001288869864 1069902951 /nfs/dbraw/zinc/90/29/51/1069902951.db2.gz KYHAMZOPLLJORV-LSDHHAIUSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001288869864 1069902948 /nfs/dbraw/zinc/90/29/48/1069902948.db2.gz KYHAMZOPLLJORV-LSDHHAIUSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001288870107 1069903556 /nfs/dbraw/zinc/90/35/56/1069903556.db2.gz LYEMNGIICHJNGS-HOTGVXAUSA-N 1 1 475.641 -0.380 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001288870109 1069904388 /nfs/dbraw/zinc/90/43/88/1069904388.db2.gz LYEMNGIICHJNGS-JKSUJKDBSA-N 1 1 475.641 -0.380 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001288870158 1069904447 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/nfs/dbraw/zinc/90/44/65/1069904465.db2.gz MTQDAJCFHNLXPI-HUUCEWRRSA-N 1 1 455.585 -0.545 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001288870161 1069904255 /nfs/dbraw/zinc/90/42/55/1069904255.db2.gz MTQDAJCFHNLXPI-LSDHHAIUSA-N 1 1 455.585 -0.545 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001288870161 1069904250 /nfs/dbraw/zinc/90/42/50/1069904250.db2.gz MTQDAJCFHNLXPI-LSDHHAIUSA-N 1 1 455.585 -0.545 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001288870353 1069904342 /nfs/dbraw/zinc/90/43/42/1069904342.db2.gz OTFDRKKCTQHMLS-BZSNNMDCSA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001288870354 1069904302 /nfs/dbraw/zinc/90/43/02/1069904302.db2.gz OTFDRKKCTQHMLS-KSZLIROESA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001288870355 1069904505 /nfs/dbraw/zinc/90/45/05/1069904505.db2.gz OTFDRKKCTQHMLS-OKZBNKHCSA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001288870356 1069904406 /nfs/dbraw/zinc/90/44/06/1069904406.db2.gz OTFDRKKCTQHMLS-RCCFBDPRSA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870847 1069905067 /nfs/dbraw/zinc/90/50/67/1069905067.db2.gz RKKDAAXMTNUNGH-NEPJUHHUSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870847 1069905064 /nfs/dbraw/zinc/90/50/64/1069905064.db2.gz RKKDAAXMTNUNGH-NEPJUHHUSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870848 1069905171 /nfs/dbraw/zinc/90/51/71/1069905171.db2.gz RKKDAAXMTNUNGH-NWDGAFQWSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870848 1069905168 /nfs/dbraw/zinc/90/51/68/1069905168.db2.gz RKKDAAXMTNUNGH-NWDGAFQWSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870849 1069905100 /nfs/dbraw/zinc/90/51/00/1069905100.db2.gz RKKDAAXMTNUNGH-RYUDHWBXSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870849 1069905097 /nfs/dbraw/zinc/90/50/97/1069905097.db2.gz RKKDAAXMTNUNGH-RYUDHWBXSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870850 1069905117 /nfs/dbraw/zinc/90/51/17/1069905117.db2.gz RKKDAAXMTNUNGH-VXGBXAGGSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870850 1069905111 /nfs/dbraw/zinc/90/51/11/1069905111.db2.gz RKKDAAXMTNUNGH-VXGBXAGGSA-N 1 1 469.490 -0.912 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871438 1069905578 /nfs/dbraw/zinc/90/55/78/1069905578.db2.gz ULGRYVXABNQXRG-CABCVRRESA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871438 1069905576 /nfs/dbraw/zinc/90/55/76/1069905576.db2.gz ULGRYVXABNQXRG-CABCVRRESA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871439 1069905713 /nfs/dbraw/zinc/90/57/13/1069905713.db2.gz ULGRYVXABNQXRG-GJZGRUSLSA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871439 1069905708 /nfs/dbraw/zinc/90/57/08/1069905708.db2.gz ULGRYVXABNQXRG-GJZGRUSLSA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871440 1069905731 /nfs/dbraw/zinc/90/57/31/1069905731.db2.gz ULGRYVXABNQXRG-HUUCEWRRSA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871440 1069905729 /nfs/dbraw/zinc/90/57/29/1069905729.db2.gz ULGRYVXABNQXRG-HUUCEWRRSA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871442 1069905611 /nfs/dbraw/zinc/90/56/11/1069905611.db2.gz ULGRYVXABNQXRG-LSDHHAIUSA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871442 1069905602 /nfs/dbraw/zinc/90/56/02/1069905602.db2.gz ULGRYVXABNQXRG-LSDHHAIUSA-N 1 1 457.601 -0.429 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288871715 1069906468 /nfs/dbraw/zinc/90/64/68/1069906468.db2.gz RDORIVTVHVXOSL-CVEARBPZSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288871715 1069906463 /nfs/dbraw/zinc/90/64/63/1069906463.db2.gz RDORIVTVHVXOSL-CVEARBPZSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288871718 1069906385 /nfs/dbraw/zinc/90/63/85/1069906385.db2.gz RDORIVTVHVXOSL-HOTGVXAUSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288871718 1069906384 /nfs/dbraw/zinc/90/63/84/1069906384.db2.gz RDORIVTVHVXOSL-HOTGVXAUSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288871721 1069906327 /nfs/dbraw/zinc/90/63/27/1069906327.db2.gz RDORIVTVHVXOSL-HZPDHXFCSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288871721 1069906322 /nfs/dbraw/zinc/90/63/22/1069906322.db2.gz RDORIVTVHVXOSL-HZPDHXFCSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288871724 1069906375 /nfs/dbraw/zinc/90/63/75/1069906375.db2.gz RDORIVTVHVXOSL-JKSUJKDBSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288871724 1069906372 /nfs/dbraw/zinc/90/63/72/1069906372.db2.gz RDORIVTVHVXOSL-JKSUJKDBSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@](C)(O)c1ccco1 ZINC001288871751 1069906268 /nfs/dbraw/zinc/90/62/68/1069906268.db2.gz VPPSVWGVAGIYBR-DOXZYTNZSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@](C)(O)c1ccco1 ZINC001288871751 1069906264 /nfs/dbraw/zinc/90/62/64/1069906264.db2.gz VPPSVWGVAGIYBR-DOXZYTNZSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@](C)(O)c1ccco1 ZINC001288871754 1069906350 /nfs/dbraw/zinc/90/63/50/1069906350.db2.gz VPPSVWGVAGIYBR-KHYOSLBOSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@](C)(O)c1ccco1 ZINC001288871754 1069906341 /nfs/dbraw/zinc/90/63/41/1069906341.db2.gz VPPSVWGVAGIYBR-KHYOSLBOSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@](C)(O)c1ccco1 ZINC001288871757 1069906401 /nfs/dbraw/zinc/90/64/01/1069906401.db2.gz VPPSVWGVAGIYBR-QMTMVMCOSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@](C)(O)c1ccco1 ZINC001288871757 1069906399 /nfs/dbraw/zinc/90/63/99/1069906399.db2.gz VPPSVWGVAGIYBR-QMTMVMCOSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@](C)(O)c1ccco1 ZINC001288871760 1069906217 /nfs/dbraw/zinc/90/62/17/1069906217.db2.gz VPPSVWGVAGIYBR-YZVOILCLSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@](C)(O)c1ccco1 ZINC001288871760 1069906210 /nfs/dbraw/zinc/90/62/10/1069906210.db2.gz VPPSVWGVAGIYBR-YZVOILCLSA-N 1 1 454.553 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872183 1069906889 /nfs/dbraw/zinc/90/68/89/1069906889.db2.gz TVINUTRHYNFZJY-ARFHVFGLSA-N 1 1 455.585 -0.532 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872184 1069906930 /nfs/dbraw/zinc/90/69/30/1069906930.db2.gz TVINUTRHYNFZJY-BZUAXINKSA-N 1 1 455.585 -0.532 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872185 1069907040 /nfs/dbraw/zinc/90/70/40/1069907040.db2.gz TVINUTRHYNFZJY-OAGGEKHMSA-N 1 1 455.585 -0.532 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872186 1069907088 /nfs/dbraw/zinc/90/70/88/1069907088.db2.gz TVINUTRHYNFZJY-XHSDSOJGSA-N 1 1 455.585 -0.532 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001288873337 1069907160 /nfs/dbraw/zinc/90/71/60/1069907160.db2.gz ZIIGGUYOMRKTTL-HRCADAONSA-N 1 1 454.601 -0.071 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001288873338 1069906962 /nfs/dbraw/zinc/90/69/62/1069906962.db2.gz ZIIGGUYOMRKTTL-JYJNAYRXSA-N 1 1 454.601 -0.071 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[N@H+]1CCC[C@H]1C ZINC001288873339 1069907019 /nfs/dbraw/zinc/90/70/19/1069907019.db2.gz ZIIGGUYOMRKTTL-OWCLPIDISA-N 1 1 454.601 -0.071 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[N@H+]1CCC[C@H]1C ZINC001288873340 1069907149 /nfs/dbraw/zinc/90/71/49/1069907149.db2.gz ZIIGGUYOMRKTTL-PMPSAXMXSA-N 1 1 454.601 -0.071 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001288879620 1069908363 /nfs/dbraw/zinc/90/83/63/1069908363.db2.gz HJTLTAFKDYSEKZ-INIZCTEOSA-N 1 1 475.685 -0.269 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001288879621 1069908287 /nfs/dbraw/zinc/90/82/87/1069908287.db2.gz HJTLTAFKDYSEKZ-MRXNPFEDSA-N 1 1 475.685 -0.269 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001288880300 1069908222 /nfs/dbraw/zinc/90/82/22/1069908222.db2.gz OLQZZYPKHKUEHT-CVEARBPZSA-N 1 1 462.642 -0.306 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001288880301 1069909042 /nfs/dbraw/zinc/90/90/42/1069909042.db2.gz OLQZZYPKHKUEHT-HOTGVXAUSA-N 1 1 462.642 -0.306 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001288880302 1069909119 /nfs/dbraw/zinc/90/91/19/1069909119.db2.gz OLQZZYPKHKUEHT-HZPDHXFCSA-N 1 1 462.642 -0.306 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001288880303 1069908255 /nfs/dbraw/zinc/90/82/55/1069908255.db2.gz OLQZZYPKHKUEHT-JKSUJKDBSA-N 1 1 462.642 -0.306 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001288883520 1069909869 /nfs/dbraw/zinc/90/98/69/1069909869.db2.gz ILIXSORDABOQSW-BBWFWOEESA-N 1 1 469.612 -0.427 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001288883521 1069909730 /nfs/dbraw/zinc/90/97/30/1069909730.db2.gz ILIXSORDABOQSW-ZACQAIPSSA-N 1 1 469.612 -0.427 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288885903 1069910401 /nfs/dbraw/zinc/91/04/01/1069910401.db2.gz RIPSBTCKRYSCHO-BBWFWOEESA-N 1 1 483.639 -0.039 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288885903 1069910398 /nfs/dbraw/zinc/91/03/98/1069910398.db2.gz RIPSBTCKRYSCHO-BBWFWOEESA-N 1 1 483.639 -0.039 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001288885906 1069910502 /nfs/dbraw/zinc/91/05/02/1069910502.db2.gz RIPSBTCKRYSCHO-ZACQAIPSSA-N 1 1 483.639 -0.039 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001288885906 1069910498 /nfs/dbraw/zinc/91/04/98/1069910498.db2.gz RIPSBTCKRYSCHO-ZACQAIPSSA-N 1 1 483.639 -0.039 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001288886587 1069910476 /nfs/dbraw/zinc/91/04/76/1069910476.db2.gz UOPFQASSMCJLKN-OAGGEKHMSA-N 1 1 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1 1 485.611 -0.967 20 0 JBADMO CC1(C)C[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCO1 ZINC001289044713 1069911791 /nfs/dbraw/zinc/91/17/91/1069911791.db2.gz UAXRFWNGOXCXSG-HOTGVXAUSA-N 1 1 485.611 -0.967 20 0 JBADMO CC1(C)C[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCO1 ZINC001289044713 1069911785 /nfs/dbraw/zinc/91/17/85/1069911785.db2.gz UAXRFWNGOXCXSG-HOTGVXAUSA-N 1 1 485.611 -0.967 20 0 JBADMO CC1(C)C[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCO1 ZINC001289044715 1069912428 /nfs/dbraw/zinc/91/24/28/1069912428.db2.gz UAXRFWNGOXCXSG-HZPDHXFCSA-N 1 1 485.611 -0.967 20 0 JBADMO CC1(C)C[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCO1 ZINC001289044715 1069912421 /nfs/dbraw/zinc/91/24/21/1069912421.db2.gz UAXRFWNGOXCXSG-HZPDHXFCSA-N 1 1 485.611 -0.967 20 0 JBADMO CC1(C)C[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCO1 ZINC001289044717 1069912350 /nfs/dbraw/zinc/91/23/50/1069912350.db2.gz 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/nfs/dbraw/zinc/92/07/38/1069920738.db2.gz GKGBRZDKVNYEIW-UHFFFAOYSA-N 1 1 495.654 -0.020 20 0 JBADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001290563985 1069920541 /nfs/dbraw/zinc/92/05/41/1069920541.db2.gz PHUCCJUFYAHBSX-GOSISDBHSA-N 1 1 493.638 -0.207 20 0 JBADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001290563991 1069920630 /nfs/dbraw/zinc/92/06/30/1069920630.db2.gz PHUCCJUFYAHBSX-SFHVURJKSA-N 1 1 493.638 -0.207 20 0 JBADMO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n(C)n1 ZINC001290564943 1069920496 /nfs/dbraw/zinc/92/04/96/1069920496.db2.gz SSGQEZCGMPCTFE-AEFFLSMTSA-N 1 1 493.638 -0.279 20 0 JBADMO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n(C)n1 ZINC001290564944 1069920609 /nfs/dbraw/zinc/92/06/09/1069920609.db2.gz SSGQEZCGMPCTFE-FUHWJXTLSA-N 1 1 493.638 -0.279 20 0 JBADMO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n(C)n1 ZINC001290564946 1069920754 /nfs/dbraw/zinc/92/07/54/1069920754.db2.gz SSGQEZCGMPCTFE-SJLPKXTDSA-N 1 1 493.638 -0.279 20 0 JBADMO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n(C)n1 ZINC001290564948 1069920682 /nfs/dbraw/zinc/92/06/82/1069920682.db2.gz SSGQEZCGMPCTFE-WMZOPIPTSA-N 1 1 493.638 -0.279 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCNS(C)(=O)=O)n1 ZINC001290618368 1069921457 /nfs/dbraw/zinc/92/14/57/1069921457.db2.gz VFLHQGJYVATYJX-CRAIPNDOSA-N 1 1 466.612 -0.154 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCNS(C)(=O)=O)n1 ZINC001290618370 1069921547 /nfs/dbraw/zinc/92/15/47/1069921547.db2.gz VFLHQGJYVATYJX-MAUKXSAKSA-N 1 1 466.612 -0.154 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCNS(C)(=O)=O)n1 ZINC001290618372 1069921425 /nfs/dbraw/zinc/92/14/25/1069921425.db2.gz VFLHQGJYVATYJX-QAPCUYQASA-N 1 1 466.612 -0.154 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCNS(C)(=O)=O)n1 ZINC001290618373 1069921515 /nfs/dbraw/zinc/92/15/15/1069921515.db2.gz VFLHQGJYVATYJX-YJBOKZPZSA-N 1 1 466.612 -0.154 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001290645495 1069922107 /nfs/dbraw/zinc/92/21/07/1069922107.db2.gz APYSOVJOHQRDSU-GOSISDBHSA-N 1 1 466.612 -0.012 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001290645495 1069922104 /nfs/dbraw/zinc/92/21/04/1069922104.db2.gz APYSOVJOHQRDSU-GOSISDBHSA-N 1 1 466.612 -0.012 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001290645501 1069922134 /nfs/dbraw/zinc/92/21/34/1069922134.db2.gz APYSOVJOHQRDSU-SFHVURJKSA-N 1 1 466.612 -0.012 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001290645501 1069922129 /nfs/dbraw/zinc/92/21/29/1069922129.db2.gz APYSOVJOHQRDSU-SFHVURJKSA-N 1 1 466.612 -0.012 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001290646599 1069922296 /nfs/dbraw/zinc/92/22/96/1069922296.db2.gz JATIVGFOGWEVAU-GOSISDBHSA-N 1 1 466.612 -0.010 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001290646609 1069922281 /nfs/dbraw/zinc/92/22/81/1069922281.db2.gz JATIVGFOGWEVAU-SFHVURJKSA-N 1 1 466.612 -0.010 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001290851047 1069924438 /nfs/dbraw/zinc/92/44/38/1069924438.db2.gz SHQNNGRLRFBPIF-GOSISDBHSA-N 1 1 463.583 -0.405 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001290851048 1069924333 /nfs/dbraw/zinc/92/43/33/1069924333.db2.gz SHQNNGRLRFBPIF-SFHVURJKSA-N 1 1 463.583 -0.405 20 0 JBADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012068 1069927676 /nfs/dbraw/zinc/92/76/76/1069927676.db2.gz UBPPRSXHXYFGJR-FGTMMUONSA-N 1 1 474.610 -0.069 20 0 JBADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012069 1069927709 /nfs/dbraw/zinc/92/77/09/1069927709.db2.gz UBPPRSXHXYFGJR-KSZLIROESA-N 1 1 474.610 -0.069 20 0 JBADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128938 1069928515 /nfs/dbraw/zinc/92/85/15/1069928515.db2.gz FYMXIWQHLYNNHK-DLBZAZTESA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128938 1069928510 /nfs/dbraw/zinc/92/85/10/1069928510.db2.gz FYMXIWQHLYNNHK-DLBZAZTESA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128939 1069928438 /nfs/dbraw/zinc/92/84/38/1069928438.db2.gz FYMXIWQHLYNNHK-IAGOWNOFSA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128939 1069928428 /nfs/dbraw/zinc/92/84/28/1069928428.db2.gz FYMXIWQHLYNNHK-IAGOWNOFSA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128940 1069928382 /nfs/dbraw/zinc/92/83/82/1069928382.db2.gz FYMXIWQHLYNNHK-IRXDYDNUSA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128940 1069928380 /nfs/dbraw/zinc/92/83/80/1069928380.db2.gz FYMXIWQHLYNNHK-IRXDYDNUSA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128941 1069928482 /nfs/dbraw/zinc/92/84/82/1069928482.db2.gz FYMXIWQHLYNNHK-SJORKVTESA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291128941 1069928476 /nfs/dbraw/zinc/92/84/76/1069928476.db2.gz FYMXIWQHLYNNHK-SJORKVTESA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291137938 1069929170 /nfs/dbraw/zinc/92/91/70/1069929170.db2.gz AAMAZKSRGMEQMW-BRWVUGGUSA-N 1 1 490.652 -0.281 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291137939 1069929017 /nfs/dbraw/zinc/92/90/17/1069929017.db2.gz AAMAZKSRGMEQMW-IKGGRYGDSA-N 1 1 490.652 -0.281 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291137940 1069929072 /nfs/dbraw/zinc/92/90/72/1069929072.db2.gz AAMAZKSRGMEQMW-IXDOHACOSA-N 1 1 490.652 -0.281 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291137941 1069929269 /nfs/dbraw/zinc/92/92/69/1069929269.db2.gz AAMAZKSRGMEQMW-ZACQAIPSSA-N 1 1 490.652 -0.281 20 0 JBADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@H]1C ZINC001291138536 1069929260 /nfs/dbraw/zinc/92/92/60/1069929260.db2.gz LSEVEFJUQAEXAI-BRWVUGGUSA-N 1 1 492.668 -0.035 20 0 JBADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@H]1C ZINC001291138537 1069929123 /nfs/dbraw/zinc/92/91/23/1069929123.db2.gz LSEVEFJUQAEXAI-IKGGRYGDSA-N 1 1 492.668 -0.035 20 0 JBADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@H]1C ZINC001291138538 1069929236 /nfs/dbraw/zinc/92/92/36/1069929236.db2.gz LSEVEFJUQAEXAI-IXDOHACOSA-N 1 1 492.668 -0.035 20 0 JBADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@H]1C ZINC001291138539 1069928906 /nfs/dbraw/zinc/92/89/06/1069928906.db2.gz LSEVEFJUQAEXAI-ZACQAIPSSA-N 1 1 492.668 -0.035 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291192547 1069931181 /nfs/dbraw/zinc/93/11/81/1069931181.db2.gz LXVFJSBAYHDWLR-DLBZAZTESA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291192547 1069931175 /nfs/dbraw/zinc/93/11/75/1069931175.db2.gz LXVFJSBAYHDWLR-DLBZAZTESA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291192548 1069931225 /nfs/dbraw/zinc/93/12/25/1069931225.db2.gz LXVFJSBAYHDWLR-IAGOWNOFSA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291192548 1069931217 /nfs/dbraw/zinc/93/12/17/1069931217.db2.gz LXVFJSBAYHDWLR-IAGOWNOFSA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291192549 1069931141 /nfs/dbraw/zinc/93/11/41/1069931141.db2.gz LXVFJSBAYHDWLR-IRXDYDNUSA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291192549 1069931133 /nfs/dbraw/zinc/93/11/33/1069931133.db2.gz LXVFJSBAYHDWLR-IRXDYDNUSA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291192550 1069931118 /nfs/dbraw/zinc/93/11/18/1069931118.db2.gz LXVFJSBAYHDWLR-SJORKVTESA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291192550 1069931112 /nfs/dbraw/zinc/93/11/12/1069931112.db2.gz LXVFJSBAYHDWLR-SJORKVTESA-N 1 1 499.638 -0.611 20 0 JBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001291192555 1069931305 /nfs/dbraw/zinc/93/13/05/1069931305.db2.gz MAZGFHUZVMZWQF-CVEARBPZSA-N 1 1 454.597 -0.306 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001291192556 1069931253 /nfs/dbraw/zinc/93/12/53/1069931253.db2.gz MAZGFHUZVMZWQF-HOTGVXAUSA-N 1 1 454.597 -0.306 20 0 JBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001291192557 1069931065 /nfs/dbraw/zinc/93/10/65/1069931065.db2.gz MAZGFHUZVMZWQF-HZPDHXFCSA-N 1 1 454.597 -0.306 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001291192558 1069931288 /nfs/dbraw/zinc/93/12/88/1069931288.db2.gz MAZGFHUZVMZWQF-JKSUJKDBSA-N 1 1 454.597 -0.306 20 0 JBADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001291196795 1069932456 /nfs/dbraw/zinc/93/24/56/1069932456.db2.gz RJDUVNOXDHAPCA-DLBZAZTESA-N 1 1 469.612 -0.390 20 0 JBADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001291196796 1069932541 /nfs/dbraw/zinc/93/25/41/1069932541.db2.gz RJDUVNOXDHAPCA-IAGOWNOFSA-N 1 1 469.612 -0.390 20 0 JBADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001291196797 1069932649 /nfs/dbraw/zinc/93/26/49/1069932649.db2.gz RJDUVNOXDHAPCA-IRXDYDNUSA-N 1 1 469.612 -0.390 20 0 JBADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001291196798 1069932516 /nfs/dbraw/zinc/93/25/16/1069932516.db2.gz RJDUVNOXDHAPCA-SJORKVTESA-N 1 1 469.612 -0.390 20 0 JBADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291238227 1069933137 /nfs/dbraw/zinc/93/31/37/1069933137.db2.gz MDQFYCAYFNVSHB-DOTOQJQBSA-N 1 1 450.569 -0.217 20 0 JBADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291238228 1069933354 /nfs/dbraw/zinc/93/33/54/1069933354.db2.gz MDQFYCAYFNVSHB-NVXWUHKLSA-N 1 1 450.569 -0.217 20 0 JBADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291238229 1069933245 /nfs/dbraw/zinc/93/32/45/1069933245.db2.gz MDQFYCAYFNVSHB-RDJZCZTQSA-N 1 1 450.569 -0.217 20 0 JBADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291238230 1069933219 /nfs/dbraw/zinc/93/32/19/1069933219.db2.gz MDQFYCAYFNVSHB-WBVHZDCISA-N 1 1 450.569 -0.217 20 0 JBADMO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001291255550 1069934554 /nfs/dbraw/zinc/93/45/54/1069934554.db2.gz JNWDJXMCTSCBGT-IIDMSEBBSA-N 1 1 460.626 -0.381 20 0 JBADMO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001291255551 1069934413 /nfs/dbraw/zinc/93/44/13/1069934413.db2.gz JNWDJXMCTSCBGT-RKVPGOIHSA-N 1 1 460.626 -0.381 20 0 JBADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001291255552 1069934456 /nfs/dbraw/zinc/93/44/56/1069934456.db2.gz JNWDJXMCTSCBGT-RVKKMQEKSA-N 1 1 460.626 -0.381 20 0 JBADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001291255553 1069934622 /nfs/dbraw/zinc/93/46/22/1069934622.db2.gz JNWDJXMCTSCBGT-VKJFTORMSA-N 1 1 460.626 -0.381 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287992 1069935864 /nfs/dbraw/zinc/93/58/64/1069935864.db2.gz LITAFWWRMAQHPX-FZKCQIBNSA-N 1 1 457.601 -0.301 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287995 1069936497 /nfs/dbraw/zinc/93/64/97/1069936497.db2.gz LITAFWWRMAQHPX-XUWVNRHRSA-N 1 1 457.601 -0.301 20 0 JBADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001291290450 1069936368 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CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001291343070 1069939675 /nfs/dbraw/zinc/93/96/75/1069939675.db2.gz GGFPGJJZVWGDBZ-YRNRMSPPSA-N 1 1 454.597 -0.258 20 0 JBADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001291343070 1069939670 /nfs/dbraw/zinc/93/96/70/1069939670.db2.gz GGFPGJJZVWGDBZ-YRNRMSPPSA-N 1 1 454.597 -0.258 20 0 JBADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001291772459 1069943203 /nfs/dbraw/zinc/94/32/03/1069943203.db2.gz OPDFIRUKORAXOY-MSOLQXFVSA-N 1 1 490.609 -0.533 20 0 JBADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001291772460 1069943104 /nfs/dbraw/zinc/94/31/04/1069943104.db2.gz OPDFIRUKORAXOY-QZTJIDSGSA-N 1 1 490.609 -0.533 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001291772461 1069943213 /nfs/dbraw/zinc/94/32/13/1069943213.db2.gz OPDFIRUKORAXOY-ROUUACIJSA-N 1 1 490.609 -0.533 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001291772462 1069943118 /nfs/dbraw/zinc/94/31/18/1069943118.db2.gz OPDFIRUKORAXOY-ZWKOTPCHSA-N 1 1 490.609 -0.533 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001291775389 1069943176 /nfs/dbraw/zinc/94/31/76/1069943176.db2.gz WRVUNVRUCBEPEI-ARFHVFGLSA-N 1 1 467.596 -0.943 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001291775390 1069943154 /nfs/dbraw/zinc/94/31/54/1069943154.db2.gz WRVUNVRUCBEPEI-HRCADAONSA-N 1 1 467.596 -0.943 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001291775391 1069943072 /nfs/dbraw/zinc/94/30/72/1069943072.db2.gz WRVUNVRUCBEPEI-JYJNAYRXSA-N 1 1 467.596 -0.943 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001291775393 1069943224 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JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001296179614 1069997878 /nfs/dbraw/zinc/99/78/78/1069997878.db2.gz HWGBJEGZIDOKNP-IRXDYDNUSA-N 1 1 468.628 -0.663 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001296179895 1069998050 /nfs/dbraw/zinc/99/80/50/1069998050.db2.gz HWGBJEGZIDOKNP-SJORKVTESA-N 1 1 468.628 -0.663 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3COCCO3)C2)CC1 ZINC001296180085 1069998501 /nfs/dbraw/zinc/99/85/01/1069998501.db2.gz LGMBMLSWBGAQHP-BZSNNMDCSA-N 1 1 471.628 -0.480 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3COCCO3)C2)CC1 ZINC001296180088 1069998490 /nfs/dbraw/zinc/99/84/90/1069998490.db2.gz LGMBMLSWBGAQHP-KSZLIROESA-N 1 1 471.628 -0.480 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3COCCO3)C2)CC1 ZINC001296180090 1069998636 /nfs/dbraw/zinc/99/86/36/1069998636.db2.gz LGMBMLSWBGAQHP-KURKYZTESA-N 1 1 471.628 -0.480 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3COCCO3)C2)CC1 ZINC001296180091 1069998477 /nfs/dbraw/zinc/99/84/77/1069998477.db2.gz LGMBMLSWBGAQHP-SQNIBIBYSA-N 1 1 471.628 -0.480 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)OC)C2)CC1 ZINC001296181167 1069998606 /nfs/dbraw/zinc/99/86/06/1069998606.db2.gz SUMMCVCTDAMEOI-GUDVDZBRSA-N 1 1 485.655 -0.138 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)OC)C2)CC1 ZINC001296181168 1069998559 /nfs/dbraw/zinc/99/85/59/1069998559.db2.gz SUMMCVCTDAMEOI-IPMKNSEASA-N 1 1 485.655 -0.138 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)OC)C2)CC1 ZINC001296181169 1069998696 /nfs/dbraw/zinc/99/86/96/1069998696.db2.gz SUMMCVCTDAMEOI-OTWHNJEPSA-N 1 1 485.655 -0.138 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)OC)C2)CC1 ZINC001296181170 1069998662 /nfs/dbraw/zinc/99/86/62/1069998662.db2.gz SUMMCVCTDAMEOI-QRVBRYPASA-N 1 1 485.655 -0.138 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185691 1069998679 /nfs/dbraw/zinc/99/86/79/1069998679.db2.gz QOUZCGOAVWNDNH-BZSNNMDCSA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185694 1069998525 /nfs/dbraw/zinc/99/85/25/1069998525.db2.gz QOUZCGOAVWNDNH-KSZLIROESA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185696 1069999235 /nfs/dbraw/zinc/99/92/35/1069999235.db2.gz QOUZCGOAVWNDNH-KURKYZTESA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185698 1069999132 /nfs/dbraw/zinc/99/91/32/1069999132.db2.gz QOUZCGOAVWNDNH-SQNIBIBYSA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296186030 1069999374 /nfs/dbraw/zinc/99/93/74/1069999374.db2.gz SDDWQLFBOJIWDD-MSOLQXFVSA-N 1 1 464.615 -0.359 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296186031 1069999220 /nfs/dbraw/zinc/99/92/20/1069999220.db2.gz SDDWQLFBOJIWDD-QZTJIDSGSA-N 1 1 464.615 -0.359 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296186032 1069999119 /nfs/dbraw/zinc/99/91/19/1069999119.db2.gz SDDWQLFBOJIWDD-ROUUACIJSA-N 1 1 464.615 -0.359 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296186033 1069999321 /nfs/dbraw/zinc/99/93/21/1069999321.db2.gz SDDWQLFBOJIWDD-ZWKOTPCHSA-N 1 1 464.615 -0.359 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296186733 1069999096 /nfs/dbraw/zinc/99/90/96/1069999096.db2.gz ZAHREIATMYKOSA-CSODHUTKSA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296186734 1069999187 /nfs/dbraw/zinc/99/91/87/1069999187.db2.gz ZAHREIATMYKOSA-FIKGOQFSSA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296186735 1069999269 /nfs/dbraw/zinc/99/92/69/1069999269.db2.gz ZAHREIATMYKOSA-FVJLSDCUSA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296186736 1069999362 /nfs/dbraw/zinc/99/93/62/1069999362.db2.gz ZAHREIATMYKOSA-XGHQBKJUSA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296186747 1069999204 /nfs/dbraw/zinc/99/92/04/1069999204.db2.gz ZHEMPKKAQRVWSC-BZSNNMDCSA-N 1 1 497.670 -0.624 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296186748 1069999286 /nfs/dbraw/zinc/99/92/86/1069999286.db2.gz ZHEMPKKAQRVWSC-KSZLIROESA-N 1 1 497.670 -0.624 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296186749 1069999165 /nfs/dbraw/zinc/99/91/65/1069999165.db2.gz ZHEMPKKAQRVWSC-OKZBNKHCSA-N 1 1 497.670 -0.624 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296186750 1069999145 /nfs/dbraw/zinc/99/91/45/1069999145.db2.gz ZHEMPKKAQRVWSC-RCCFBDPRSA-N 1 1 497.670 -0.624 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296191884 1069999887 /nfs/dbraw/zinc/99/98/87/1069999887.db2.gz CNXBAUKMBRGSRO-BZSNNMDCSA-N 1 1 462.599 -0.546 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296191885 1070000368 /nfs/dbraw/zinc/00/03/68/1070000368.db2.gz CNXBAUKMBRGSRO-KSZLIROESA-N 1 1 462.599 -0.546 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296191886 1070000207 /nfs/dbraw/zinc/00/02/07/1070000207.db2.gz CNXBAUKMBRGSRO-OKZBNKHCSA-N 1 1 462.599 -0.546 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296191887 1069999773 /nfs/dbraw/zinc/99/97/73/1069999773.db2.gz CNXBAUKMBRGSRO-RCCFBDPRSA-N 1 1 462.599 -0.546 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296192931 1069999969 /nfs/dbraw/zinc/99/99/69/1069999969.db2.gz HFQTYYHLGVZTOB-MSOLQXFVSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296192932 1069999835 /nfs/dbraw/zinc/99/98/35/1069999835.db2.gz HFQTYYHLGVZTOB-QZTJIDSGSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296192933 1070000134 /nfs/dbraw/zinc/00/01/34/1070000134.db2.gz HFQTYYHLGVZTOB-ROUUACIJSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296192934 1070000170 /nfs/dbraw/zinc/00/01/70/1070000170.db2.gz HFQTYYHLGVZTOB-ZWKOTPCHSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296196183 1069999987 /nfs/dbraw/zinc/99/99/87/1069999987.db2.gz XPKMRJKUBHBTDA-FQEVSTJZSA-N 1 1 490.653 -0.031 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296196185 1070000301 /nfs/dbraw/zinc/00/03/01/1070000301.db2.gz XPKMRJKUBHBTDA-HXUWFJFHSA-N 1 1 490.653 -0.031 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296202239 1069999800 /nfs/dbraw/zinc/99/98/00/1069999800.db2.gz BSOHPWOYMRBCKJ-DLBZAZTESA-N 1 1 483.643 -0.870 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296202244 1069999814 /nfs/dbraw/zinc/99/98/14/1069999814.db2.gz BSOHPWOYMRBCKJ-IAGOWNOFSA-N 1 1 483.643 -0.870 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296202245 1070001152 /nfs/dbraw/zinc/00/11/52/1070001152.db2.gz BSOHPWOYMRBCKJ-IRXDYDNUSA-N 1 1 483.643 -0.870 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296202246 1070001487 /nfs/dbraw/zinc/00/14/87/1070001487.db2.gz BSOHPWOYMRBCKJ-SJORKVTESA-N 1 1 483.643 -0.870 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202272 1070000923 /nfs/dbraw/zinc/00/09/23/1070000923.db2.gz CKSSRRRUOXWYGA-KRWDZBQOSA-N 1 1 470.644 -0.416 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202274 1070001430 /nfs/dbraw/zinc/00/14/30/1070001430.db2.gz CKSSRRRUOXWYGA-QGZVFWFLSA-N 1 1 470.644 -0.416 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296202585 1070001596 /nfs/dbraw/zinc/00/15/96/1070001596.db2.gz GHSLWOPOLCIJNR-GOSISDBHSA-N 1 1 484.671 -0.026 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296202586 1070001214 /nfs/dbraw/zinc/00/12/14/1070001214.db2.gz GHSLWOPOLCIJNR-SFHVURJKSA-N 1 1 484.671 -0.026 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001296203785 1070001119 /nfs/dbraw/zinc/00/11/19/1070001119.db2.gz OEKXKPOZLFPFGC-PMACEKPBSA-N 1 1 476.626 -0.012 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001296203786 1070001357 /nfs/dbraw/zinc/00/13/57/1070001357.db2.gz OEKXKPOZLFPFGC-UXHICEINSA-N 1 1 476.626 -0.012 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001296203787 1070001045 /nfs/dbraw/zinc/00/10/45/1070001045.db2.gz OEKXKPOZLFPFGC-VQTJNVASSA-N 1 1 476.626 -0.012 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001296203788 1070001287 /nfs/dbraw/zinc/00/12/87/1070001287.db2.gz OEKXKPOZLFPFGC-WOJBJXKFSA-N 1 1 476.626 -0.012 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001296204065 1070000811 /nfs/dbraw/zinc/00/08/11/1070000811.db2.gz QUEOBDIWGLXNLO-BZSNNMDCSA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)CC1 ZINC001296204066 1070000977 /nfs/dbraw/zinc/00/09/77/1070000977.db2.gz QUEOBDIWGLXNLO-KSZLIROESA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001296204067 1070001538 /nfs/dbraw/zinc/00/15/38/1070001538.db2.gz QUEOBDIWGLXNLO-OKZBNKHCSA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001296204068 1070000861 /nfs/dbraw/zinc/00/08/61/1070000861.db2.gz QUEOBDIWGLXNLO-RCCFBDPRSA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296204084 1070002302 /nfs/dbraw/zinc/00/23/02/1070002302.db2.gz RDLHGOCRHJQVJR-UHFFFAOYSA-N 1 1 476.626 -0.163 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296204211 1070002723 /nfs/dbraw/zinc/00/27/23/1070002723.db2.gz IKOODTLVACHAEF-GOSISDBHSA-N 1 1 462.599 -0.448 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296204212 1070002861 /nfs/dbraw/zinc/00/28/61/1070002861.db2.gz IKOODTLVACHAEF-SFHVURJKSA-N 1 1 462.599 -0.448 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001296204383 1070002250 /nfs/dbraw/zinc/00/22/50/1070002250.db2.gz VAOYMKFSZOTBFV-UHFFFAOYSA-N 1 1 476.626 -0.163 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296204415 1070002382 /nfs/dbraw/zinc/00/23/82/1070002382.db2.gz VWNJNOOIGAJYPY-DLBZAZTESA-N 1 1 471.628 -0.085 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296204416 1070002030 /nfs/dbraw/zinc/00/20/30/1070002030.db2.gz VWNJNOOIGAJYPY-IAGOWNOFSA-N 1 1 471.628 -0.085 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296204417 1070002769 /nfs/dbraw/zinc/00/27/69/1070002769.db2.gz VWNJNOOIGAJYPY-IRXDYDNUSA-N 1 1 471.628 -0.085 20 0 JBADMO 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CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296205848 1070002464 /nfs/dbraw/zinc/00/24/64/1070002464.db2.gz ZSYJJGLNQWQPSD-RBUKOAKNSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001296211379 1070002126 /nfs/dbraw/zinc/00/21/26/1070002126.db2.gz OJZMEOXBCJQADR-UHFFFAOYSA-N 1 1 496.682 -0.054 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001296282100 1070005274 /nfs/dbraw/zinc/00/52/74/1070005274.db2.gz FVWRYQKODPOANO-JOCHJYFZSA-N 1 1 464.615 -0.479 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001296282101 1070005466 /nfs/dbraw/zinc/00/54/66/1070005466.db2.gz FVWRYQKODPOANO-QFIPXVFZSA-N 1 1 464.615 -0.479 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001296284242 1070005223 /nfs/dbraw/zinc/00/52/23/1070005223.db2.gz VBONSFDIQAMUDE-UHFFFAOYSA-N 1 1 476.626 -0.115 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001296293710 1070008175 /nfs/dbraw/zinc/00/81/75/1070008175.db2.gz KIENTKZHGWROLF-KRWDZBQOSA-N 1 1 453.613 -0.466 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001296293729 1070008479 /nfs/dbraw/zinc/00/84/79/1070008479.db2.gz KIENTKZHGWROLF-QGZVFWFLSA-N 1 1 453.613 -0.466 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001296297797 1070009845 /nfs/dbraw/zinc/00/98/45/1070009845.db2.gz AABUQZXCVPOEBA-JLMWRMLUSA-N 1 1 465.599 -0.673 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001296297802 1070009553 /nfs/dbraw/zinc/00/95/53/1070009553.db2.gz AABUQZXCVPOEBA-LQBOVUBWSA-N 1 1 465.599 -0.673 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001296298502 1070009710 /nfs/dbraw/zinc/00/97/10/1070009710.db2.gz SPGLYRBJTPZLCP-UHFFFAOYSA-N 1 1 476.626 -0.231 20 0 JBADMO 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JBADMO CN(C)C(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001297972480 1070053160 /nfs/dbraw/zinc/05/31/60/1070053160.db2.gz AGPPHEWIIKDEOC-SJORKVTESA-N 1 1 485.611 -1.000 20 0 JBADMO CN(C)C(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001297972480 1070053146 /nfs/dbraw/zinc/05/31/46/1070053146.db2.gz AGPPHEWIIKDEOC-SJORKVTESA-N 1 1 485.611 -1.000 20 0 JBADMO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001297986646 1070053829 /nfs/dbraw/zinc/05/38/29/1070053829.db2.gz FLTNJXPUXUVJFZ-DYESRHJHSA-N 1 1 499.638 -0.610 20 0 JBADMO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001297986647 1070054445 /nfs/dbraw/zinc/05/44/45/1070054445.db2.gz FLTNJXPUXUVJFZ-LAUBAEHRSA-N 1 1 499.638 -0.610 20 0 JBADMO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001297986648 1070054351 /nfs/dbraw/zinc/05/43/51/1070054351.db2.gz FLTNJXPUXUVJFZ-UTKZUKDTSA-N 1 1 499.638 -0.610 20 0 JBADMO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001297986649 1070054503 /nfs/dbraw/zinc/05/45/03/1070054503.db2.gz FLTNJXPUXUVJFZ-UWJYYQICSA-N 1 1 499.638 -0.610 20 0 JBADMO CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001298000984 1070054899 /nfs/dbraw/zinc/05/48/99/1070054899.db2.gz LRWHNXBTZARUJG-KRWDZBQOSA-N 1 1 477.591 -0.196 20 0 JBADMO CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001298000984 1070054883 /nfs/dbraw/zinc/05/48/83/1070054883.db2.gz LRWHNXBTZARUJG-KRWDZBQOSA-N 1 1 477.591 -0.196 20 0 JBADMO CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001298000987 1070054956 /nfs/dbraw/zinc/05/49/56/1070054956.db2.gz LRWHNXBTZARUJG-QGZVFWFLSA-N 1 1 477.591 -0.196 20 0 JBADMO CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001298000987 1070054943 /nfs/dbraw/zinc/05/49/43/1070054943.db2.gz LRWHNXBTZARUJG-QGZVFWFLSA-N 1 1 477.591 -0.196 20 0 JBADMO CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001298005255 1070055974 /nfs/dbraw/zinc/05/59/74/1070055974.db2.gz NUNBPLZYCYUROR-KRWDZBQOSA-N 1 1 454.597 -0.183 20 0 JBADMO CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001298005260 1070056045 /nfs/dbraw/zinc/05/60/45/1070056045.db2.gz NUNBPLZYCYUROR-QGZVFWFLSA-N 1 1 454.597 -0.183 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001298013001 1070056863 /nfs/dbraw/zinc/05/68/63/1070056863.db2.gz BYRFXNWSYVXWEX-UHFFFAOYSA-N 1 1 459.599 0.000 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001298013225 1070056660 /nfs/dbraw/zinc/05/66/60/1070056660.db2.gz HMJNZWZNAGBRQG-UHFFFAOYSA-N 1 1 459.599 0.000 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001298013225 1070056646 /nfs/dbraw/zinc/05/66/46/1070056646.db2.gz HMJNZWZNAGBRQG-UHFFFAOYSA-N 1 1 459.599 0.000 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001298014551 1070057286 /nfs/dbraw/zinc/05/72/86/1070057286.db2.gz BEMVIUWTTONUJD-KRWDZBQOSA-N 1 1 453.613 -0.514 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001298014552 1070057446 /nfs/dbraw/zinc/05/74/46/1070057446.db2.gz BEMVIUWTTONUJD-QGZVFWFLSA-N 1 1 453.613 -0.514 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001298014765 1070058295 /nfs/dbraw/zinc/05/82/95/1070058295.db2.gz DIRRXJUZWCIMDP-KRWDZBQOSA-N 1 1 462.599 -0.450 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001298014768 1070058117 /nfs/dbraw/zinc/05/81/17/1070058117.db2.gz DIRRXJUZWCIMDP-QGZVFWFLSA-N 1 1 462.599 -0.450 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001298015019 1070058220 /nfs/dbraw/zinc/05/82/20/1070058220.db2.gz GHUFVBHEWQMYJE-MSOLQXFVSA-N 1 1 462.599 -0.714 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001298015020 1070057969 /nfs/dbraw/zinc/05/79/69/1070057969.db2.gz GHUFVBHEWQMYJE-QZTJIDSGSA-N 1 1 462.599 -0.714 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001298015021 1070058189 /nfs/dbraw/zinc/05/81/89/1070058189.db2.gz GHUFVBHEWQMYJE-ROUUACIJSA-N 1 1 462.599 -0.714 20 0 JBADMO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001298015022 1070058080 /nfs/dbraw/zinc/05/80/80/1070058080.db2.gz GHUFVBHEWQMYJE-ZWKOTPCHSA-N 1 1 462.599 -0.714 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001298098365 1070061729 /nfs/dbraw/zinc/06/17/29/1070061729.db2.gz WPIXWDFRFWAYJE-UHFFFAOYSA-N 1 1 493.638 -0.149 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001298103348 1070062490 /nfs/dbraw/zinc/06/24/90/1070062490.db2.gz IIQANUDSDKRPMT-DLBZAZTESA-N 1 1 490.652 -0.770 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001298103349 1070062272 /nfs/dbraw/zinc/06/22/72/1070062272.db2.gz IIQANUDSDKRPMT-IAGOWNOFSA-N 1 1 490.652 -0.770 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001298103350 1070062246 /nfs/dbraw/zinc/06/22/46/1070062246.db2.gz IIQANUDSDKRPMT-IRXDYDNUSA-N 1 1 490.652 -0.770 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001298103351 1070062522 /nfs/dbraw/zinc/06/25/22/1070062522.db2.gz IIQANUDSDKRPMT-SJORKVTESA-N 1 1 490.652 -0.770 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298198506 1070065746 /nfs/dbraw/zinc/06/57/46/1070065746.db2.gz KBRBSZVJPFLLGV-UHFFFAOYSA-N 1 1 459.599 0.000 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298198506 1070065732 /nfs/dbraw/zinc/06/57/32/1070065732.db2.gz KBRBSZVJPFLLGV-UHFFFAOYSA-N 1 1 459.599 0.000 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298198506 1070065721 /nfs/dbraw/zinc/06/57/21/1070065721.db2.gz KBRBSZVJPFLLGV-UHFFFAOYSA-N 1 1 459.599 0.000 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOCC1(C)C ZINC001298206537 1070067500 /nfs/dbraw/zinc/06/75/00/1070067500.db2.gz MYXCBVVJXJOJCO-UHFFFAOYSA-N 1 1 463.583 -0.194 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001298206537 1070067482 /nfs/dbraw/zinc/06/74/82/1070067482.db2.gz MYXCBVVJXJOJCO-UHFFFAOYSA-N 1 1 463.583 -0.194 20 0 JBADMO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(=O)[nH]c1=O ZINC001298377843 1070068203 /nfs/dbraw/zinc/06/82/03/1070068203.db2.gz SCWUBNNVUQKLNW-CABCVRRESA-N 1 1 450.540 -0.137 20 0 JBADMO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(=O)[nH]c1=O ZINC001298377844 1070068114 /nfs/dbraw/zinc/06/81/14/1070068114.db2.gz SCWUBNNVUQKLNW-GJZGRUSLSA-N 1 1 450.540 -0.137 20 0 JBADMO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(=O)[nH]c1=O ZINC001298377845 1070067874 /nfs/dbraw/zinc/06/78/74/1070067874.db2.gz SCWUBNNVUQKLNW-HUUCEWRRSA-N 1 1 450.540 -0.137 20 0 JBADMO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(=O)[nH]c1=O ZINC001298377846 1070068056 /nfs/dbraw/zinc/06/80/56/1070068056.db2.gz SCWUBNNVUQKLNW-LSDHHAIUSA-N 1 1 450.540 -0.137 20 0 JBADMO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001298691154 1070070795 /nfs/dbraw/zinc/07/07/95/1070070795.db2.gz LOSSWSLPAOLSNF-INIZCTEOSA-N 1 1 478.641 -0.422 20 0 JBADMO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001298691155 1070070490 /nfs/dbraw/zinc/07/04/90/1070070490.db2.gz LOSSWSLPAOLSNF-MRXNPFEDSA-N 1 1 478.641 -0.422 20 0 JBADMO C[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001298713971 1070071044 /nfs/dbraw/zinc/07/10/44/1070071044.db2.gz IZVIELHAQUFXJN-KRWDZBQOSA-N 1 1 469.612 -0.188 20 0 JBADMO C[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001298713972 1070071152 /nfs/dbraw/zinc/07/11/52/1070071152.db2.gz IZVIELHAQUFXJN-QGZVFWFLSA-N 1 1 469.612 -0.188 20 0 JBADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001298730029 1070071639 /nfs/dbraw/zinc/07/16/39/1070071639.db2.gz PYXJLCQZNYFLTC-INIZCTEOSA-N 1 1 472.612 -0.317 20 0 JBADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001298730029 1070071622 /nfs/dbraw/zinc/07/16/22/1070071622.db2.gz PYXJLCQZNYFLTC-INIZCTEOSA-N 1 1 472.612 -0.317 20 0 JBADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001298730030 1070071699 /nfs/dbraw/zinc/07/16/99/1070071699.db2.gz PYXJLCQZNYFLTC-MRXNPFEDSA-N 1 1 472.612 -0.317 20 0 JBADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001298730030 1070071681 /nfs/dbraw/zinc/07/16/81/1070071681.db2.gz PYXJLCQZNYFLTC-MRXNPFEDSA-N 1 1 472.612 -0.317 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001298730203 1070072259 /nfs/dbraw/zinc/07/22/59/1070072259.db2.gz WAAPCWKMAIYHJV-HNNXBMFYSA-N 1 1 457.601 -0.332 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001298730203 1070072243 /nfs/dbraw/zinc/07/22/43/1070072243.db2.gz WAAPCWKMAIYHJV-HNNXBMFYSA-N 1 1 457.601 -0.332 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001298730204 1070072154 /nfs/dbraw/zinc/07/21/54/1070072154.db2.gz WAAPCWKMAIYHJV-OAHLLOKOSA-N 1 1 457.601 -0.332 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001298730204 1070072140 /nfs/dbraw/zinc/07/21/40/1070072140.db2.gz WAAPCWKMAIYHJV-OAHLLOKOSA-N 1 1 457.601 -0.332 20 0 JBADMO CN(CCN1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001298738568 1070071876 /nfs/dbraw/zinc/07/18/76/1070071876.db2.gz KYXCDAQBIIEYJY-IBGZPJMESA-N 1 1 483.639 -0.359 20 0 JBADMO CN(CCN1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001298738569 1070072497 /nfs/dbraw/zinc/07/24/97/1070072497.db2.gz KYXCDAQBIIEYJY-LJQANCHMSA-N 1 1 483.639 -0.359 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298744889 1070072703 /nfs/dbraw/zinc/07/27/03/1070072703.db2.gz YUMOYQORZZWWEB-UHFFFAOYSA-N 1 1 451.601 -0.254 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298744889 1070072685 /nfs/dbraw/zinc/07/26/85/1070072685.db2.gz YUMOYQORZZWWEB-UHFFFAOYSA-N 1 1 451.601 -0.254 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298744889 1070072669 /nfs/dbraw/zinc/07/26/69/1070072669.db2.gz YUMOYQORZZWWEB-UHFFFAOYSA-N 1 1 451.601 -0.254 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001298748563 1070073852 /nfs/dbraw/zinc/07/38/52/1070073852.db2.gz SHUFQJFNRHNDAO-HNNXBMFYSA-N 1 1 450.569 -0.155 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001298748564 1070073933 /nfs/dbraw/zinc/07/39/33/1070073933.db2.gz SHUFQJFNRHNDAO-OAHLLOKOSA-N 1 1 450.569 -0.155 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cn1 ZINC001298818322 1070075790 /nfs/dbraw/zinc/07/57/90/1070075790.db2.gz GPFHCIBKDBHKQL-KRWDZBQOSA-N 1 1 452.585 -0.393 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cn1 ZINC001298818323 1070075544 /nfs/dbraw/zinc/07/55/44/1070075544.db2.gz GPFHCIBKDBHKQL-QGZVFWFLSA-N 1 1 452.585 -0.393 20 0 JBADMO Cn1cc(C[N@H+]2CCCN(c3nnc(C(=O)N4CCCC4)n3CCCNS(C)(=O)=O)CC2)cn1 ZINC001298828391 1070076101 /nfs/dbraw/zinc/07/61/01/1070076101.db2.gz QCZKSHRFZWLEKI-UHFFFAOYSA-N 1 1 493.638 -0.101 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)CC1=O ZINC001298847036 1070076219 /nfs/dbraw/zinc/07/62/19/1070076219.db2.gz OBUIIECUHWCPIN-AWEZNQCLSA-N 1 1 458.519 -0.180 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)CC1=O ZINC001298847037 1070076821 /nfs/dbraw/zinc/07/68/21/1070076821.db2.gz OBUIIECUHWCPIN-CQSZACIVSA-N 1 1 458.519 -0.180 20 0 JBADMO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)[C@H]1c1ccnn1C ZINC001298848559 1070077001 /nfs/dbraw/zinc/07/70/01/1070077001.db2.gz VSXWQNJAUXMACT-BEVDRBHNSA-N 1 1 450.540 -0.996 20 0 JBADMO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)[C@H]1c1ccnn1C ZINC001298848566 1070076924 /nfs/dbraw/zinc/07/69/24/1070076924.db2.gz VSXWQNJAUXMACT-YSGRDPCXSA-N 1 1 450.540 -0.996 20 0 JBADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001298877123 1070077474 /nfs/dbraw/zinc/07/74/74/1070077474.db2.gz BXQRZLZYTJXDRG-FQEVSTJZSA-N 1 1 498.631 -0.503 20 0 JBADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001298877124 1070077556 /nfs/dbraw/zinc/07/75/56/1070077556.db2.gz BXQRZLZYTJXDRG-HXUWFJFHSA-N 1 1 498.631 -0.503 20 0 JBADMO CN(C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001298879896 1070077257 /nfs/dbraw/zinc/07/72/57/1070077257.db2.gz RTASYZWRNVHAFD-DYESRHJHSA-N 1 1 483.639 -0.312 20 0 JBADMO CN(C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001298879897 1070077690 /nfs/dbraw/zinc/07/76/90/1070077690.db2.gz RTASYZWRNVHAFD-LAUBAEHRSA-N 1 1 483.639 -0.312 20 0 JBADMO CN(C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001298879898 1070077225 /nfs/dbraw/zinc/07/72/25/1070077225.db2.gz RTASYZWRNVHAFD-UTKZUKDTSA-N 1 1 483.639 -0.312 20 0 JBADMO CN(C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001298879899 1070077412 /nfs/dbraw/zinc/07/74/12/1070077412.db2.gz RTASYZWRNVHAFD-UWJYYQICSA-N 1 1 483.639 -0.312 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001298880348 1070078065 /nfs/dbraw/zinc/07/80/65/1070078065.db2.gz VGAAHDKXDOSROE-JXFKEZNVSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@@H+]1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001298880348 1070078045 /nfs/dbraw/zinc/07/80/45/1070078045.db2.gz VGAAHDKXDOSROE-JXFKEZNVSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001298880349 1070078436 /nfs/dbraw/zinc/07/84/36/1070078436.db2.gz VGAAHDKXDOSROE-OXJNMPFZSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@@H+]1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001298880349 1070078418 /nfs/dbraw/zinc/07/84/18/1070078418.db2.gz VGAAHDKXDOSROE-OXJNMPFZSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001298880350 1070078490 /nfs/dbraw/zinc/07/84/90/1070078490.db2.gz VGAAHDKXDOSROE-OXQOHEQNSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@@H+]1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001298880350 1070078473 /nfs/dbraw/zinc/07/84/73/1070078473.db2.gz VGAAHDKXDOSROE-OXQOHEQNSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001298880351 1070077899 /nfs/dbraw/zinc/07/78/99/1070077899.db2.gz VGAAHDKXDOSROE-UZLBHIALSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@@H+]1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001298880351 1070077882 /nfs/dbraw/zinc/07/78/82/1070077882.db2.gz VGAAHDKXDOSROE-UZLBHIALSA-N 1 1 454.597 -0.016 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880810 1070078104 /nfs/dbraw/zinc/07/81/04/1070078104.db2.gz AHLDUPSGVHMWGE-FXAWDEMLSA-N 1 1 472.612 -0.581 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880811 1070078735 /nfs/dbraw/zinc/07/87/35/1070078735.db2.gz AHLDUPSGVHMWGE-PXNSSMCTSA-N 1 1 472.612 -0.581 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880812 1070078384 /nfs/dbraw/zinc/07/83/84/1070078384.db2.gz AHLDUPSGVHMWGE-XLIONFOSSA-N 1 1 472.612 -0.581 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880813 1070078001 /nfs/dbraw/zinc/07/80/01/1070078001.db2.gz AHLDUPSGVHMWGE-YLJYHZDGSA-N 1 1 472.612 -0.581 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880878 1070078623 /nfs/dbraw/zinc/07/86/23/1070078623.db2.gz BDIIUQJFHDDRTC-HRAATJIYSA-N 1 1 483.639 -0.123 20 0 JBADMO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880878 1070078604 /nfs/dbraw/zinc/07/86/04/1070078604.db2.gz BDIIUQJFHDDRTC-HRAATJIYSA-N 1 1 483.639 -0.123 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880880 1070077970 /nfs/dbraw/zinc/07/79/70/1070077970.db2.gz BDIIUQJFHDDRTC-IERDGZPVSA-N 1 1 483.639 -0.123 20 0 JBADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880880 1070077950 /nfs/dbraw/zinc/07/79/50/1070077950.db2.gz BDIIUQJFHDDRTC-IERDGZPVSA-N 1 1 483.639 -0.123 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880882 1070078703 /nfs/dbraw/zinc/07/87/03/1070078703.db2.gz BDIIUQJFHDDRTC-IIBYNOLFSA-N 1 1 483.639 -0.123 20 0 JBADMO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880882 1070078682 /nfs/dbraw/zinc/07/86/82/1070078682.db2.gz BDIIUQJFHDDRTC-IIBYNOLFSA-N 1 1 483.639 -0.123 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880884 1070078221 /nfs/dbraw/zinc/07/82/21/1070078221.db2.gz BDIIUQJFHDDRTC-KKSFZXQISA-N 1 1 483.639 -0.123 20 0 JBADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001298880884 1070078198 /nfs/dbraw/zinc/07/81/98/1070078198.db2.gz BDIIUQJFHDDRTC-KKSFZXQISA-N 1 1 483.639 -0.123 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881429 1070078160 /nfs/dbraw/zinc/07/81/60/1070078160.db2.gz FSPVQKYNAPJLOG-DYESRHJHSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298881429 1070078144 /nfs/dbraw/zinc/07/81/44/1070078144.db2.gz FSPVQKYNAPJLOG-DYESRHJHSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881430 1070078283 /nfs/dbraw/zinc/07/82/83/1070078283.db2.gz FSPVQKYNAPJLOG-LAUBAEHRSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298881430 1070078265 /nfs/dbraw/zinc/07/82/65/1070078265.db2.gz FSPVQKYNAPJLOG-LAUBAEHRSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881431 1070078561 /nfs/dbraw/zinc/07/85/61/1070078561.db2.gz FSPVQKYNAPJLOG-UTKZUKDTSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298881431 1070078539 /nfs/dbraw/zinc/07/85/39/1070078539.db2.gz FSPVQKYNAPJLOG-UTKZUKDTSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881432 1070078349 /nfs/dbraw/zinc/07/83/49/1070078349.db2.gz FSPVQKYNAPJLOG-UWJYYQICSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298881432 1070078332 /nfs/dbraw/zinc/07/83/32/1070078332.db2.gz FSPVQKYNAPJLOG-UWJYYQICSA-N 1 1 462.576 -0.018 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881557 1070079621 /nfs/dbraw/zinc/07/96/21/1070079621.db2.gz HJUSDCJQMJDMJY-GHTZIAJQSA-N 1 1 486.639 -0.334 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881558 1070079003 /nfs/dbraw/zinc/07/90/03/1070079003.db2.gz HJUSDCJQMJDMJY-NQIIRXRSSA-N 1 1 486.639 -0.334 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881559 1070079349 /nfs/dbraw/zinc/07/93/49/1070079349.db2.gz HJUSDCJQMJDMJY-RXVVDRJESA-N 1 1 486.639 -0.334 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881560 1070078969 /nfs/dbraw/zinc/07/89/69/1070078969.db2.gz HJUSDCJQMJDMJY-WIYYLYMNSA-N 1 1 486.639 -0.334 20 0 JBADMO CN(C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1)S(C)(=O)=O ZINC001298882059 1070079117 /nfs/dbraw/zinc/07/91/17/1070079117.db2.gz OXZPKTLFADCBAR-FQEVSTJZSA-N 1 1 469.612 -0.673 20 0 JBADMO CN(C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1)S(C)(=O)=O ZINC001298882060 1070079653 /nfs/dbraw/zinc/07/96/53/1070079653.db2.gz OXZPKTLFADCBAR-HXUWFJFHSA-N 1 1 469.612 -0.673 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001298887672 1070079512 /nfs/dbraw/zinc/07/95/12/1070079512.db2.gz KQCMLYGVZITGKE-IBGZPJMESA-N 1 1 490.634 -0.102 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001298887678 1070079384 /nfs/dbraw/zinc/07/93/84/1070079384.db2.gz KQCMLYGVZITGKE-LJQANCHMSA-N 1 1 490.634 -0.102 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001298888196 1070079441 /nfs/dbraw/zinc/07/94/41/1070079441.db2.gz MXTQITSEQQKWGE-IBGZPJMESA-N 1 1 490.634 -0.102 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001298888197 1070078911 /nfs/dbraw/zinc/07/89/11/1070078911.db2.gz MXTQITSEQQKWGE-LJQANCHMSA-N 1 1 490.634 -0.102 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001298888213 1070079034 /nfs/dbraw/zinc/07/90/34/1070079034.db2.gz NGYGAKXHVQNHTM-KRWDZBQOSA-N 1 1 464.596 -0.144 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001298888220 1070079276 /nfs/dbraw/zinc/07/92/76/1070079276.db2.gz NGYGAKXHVQNHTM-QGZVFWFLSA-N 1 1 464.596 -0.144 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888271 1070079565 /nfs/dbraw/zinc/07/95/65/1070079565.db2.gz NRAMWNUKUBVNHF-DLBZAZTESA-N 1 1 454.597 -0.041 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888272 1070079699 /nfs/dbraw/zinc/07/96/99/1070079699.db2.gz NRAMWNUKUBVNHF-IAGOWNOFSA-N 1 1 454.597 -0.041 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888273 1070079159 /nfs/dbraw/zinc/07/91/59/1070079159.db2.gz NRAMWNUKUBVNHF-IRXDYDNUSA-N 1 1 454.597 -0.041 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888274 1070079218 /nfs/dbraw/zinc/07/92/18/1070079218.db2.gz NRAMWNUKUBVNHF-SJORKVTESA-N 1 1 454.597 -0.041 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889450 1070080567 /nfs/dbraw/zinc/08/05/67/1070080567.db2.gz SZOKXMFUYDJWRH-HRAATJIYSA-N 1 1 468.624 -0.132 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889451 1070080042 /nfs/dbraw/zinc/08/00/42/1070080042.db2.gz SZOKXMFUYDJWRH-IERDGZPVSA-N 1 1 468.624 -0.132 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889452 1070079942 /nfs/dbraw/zinc/07/99/42/1070079942.db2.gz SZOKXMFUYDJWRH-IIBYNOLFSA-N 1 1 468.624 -0.132 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889453 1070080308 /nfs/dbraw/zinc/08/03/08/1070080308.db2.gz SZOKXMFUYDJWRH-KKSFZXQISA-N 1 1 468.624 -0.132 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001298889979 1070080247 /nfs/dbraw/zinc/08/02/47/1070080247.db2.gz XSHFBRMKTZTISB-KRWDZBQOSA-N 1 1 464.596 -0.093 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001298889980 1070080382 /nfs/dbraw/zinc/08/03/82/1070080382.db2.gz XSHFBRMKTZTISB-QGZVFWFLSA-N 1 1 464.596 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JBADMO C[N@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001298895739 1070080938 /nfs/dbraw/zinc/08/09/38/1070080938.db2.gz DHRAQPDLHBZMFM-IAGOWNOFSA-N 1 1 467.640 -0.092 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001298895740 1070080829 /nfs/dbraw/zinc/08/08/29/1070080829.db2.gz DHRAQPDLHBZMFM-IRXDYDNUSA-N 1 1 467.640 -0.092 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001298895741 1070081079 /nfs/dbraw/zinc/08/10/79/1070081079.db2.gz DHRAQPDLHBZMFM-SJORKVTESA-N 1 1 467.640 -0.092 20 0 JBADMO CN1CC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1(C)C ZINC001298903390 1070081567 /nfs/dbraw/zinc/08/15/67/1070081567.db2.gz OLNHKWLUKLZTJU-UHFFFAOYSA-N 1 1 496.682 -0.056 20 0 JBADMO CN1CC[N@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1(C)C ZINC001298903390 1070081548 /nfs/dbraw/zinc/08/15/48/1070081548.db2.gz OLNHKWLUKLZTJU-UHFFFAOYSA-N 1 1 496.682 -0.056 20 0 JBADMO C[N@H+]1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1(C)C ZINC001298903390 1070081531 /nfs/dbraw/zinc/08/15/31/1070081531.db2.gz OLNHKWLUKLZTJU-UHFFFAOYSA-N 1 1 496.682 -0.056 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298954809 1070082990 /nfs/dbraw/zinc/08/29/90/1070082990.db2.gz WWSMVVNXLIUBKP-CVEARBPZSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298954809 1070082973 /nfs/dbraw/zinc/08/29/73/1070082973.db2.gz WWSMVVNXLIUBKP-CVEARBPZSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298954809 1070082956 /nfs/dbraw/zinc/08/29/56/1070082956.db2.gz WWSMVVNXLIUBKP-CVEARBPZSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298954811 1070082554 /nfs/dbraw/zinc/08/25/54/1070082554.db2.gz WWSMVVNXLIUBKP-HOTGVXAUSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298954811 1070082548 /nfs/dbraw/zinc/08/25/48/1070082548.db2.gz WWSMVVNXLIUBKP-HOTGVXAUSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298954811 1070082528 /nfs/dbraw/zinc/08/25/28/1070082528.db2.gz WWSMVVNXLIUBKP-HOTGVXAUSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298954812 1070082732 /nfs/dbraw/zinc/08/27/32/1070082732.db2.gz WWSMVVNXLIUBKP-HZPDHXFCSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298954812 1070082721 /nfs/dbraw/zinc/08/27/21/1070082721.db2.gz WWSMVVNXLIUBKP-HZPDHXFCSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298954812 1070082702 /nfs/dbraw/zinc/08/27/02/1070082702.db2.gz WWSMVVNXLIUBKP-HZPDHXFCSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298954813 1070083140 /nfs/dbraw/zinc/08/31/40/1070083140.db2.gz WWSMVVNXLIUBKP-JKSUJKDBSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298954813 1070083130 /nfs/dbraw/zinc/08/31/30/1070083130.db2.gz WWSMVVNXLIUBKP-JKSUJKDBSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298954813 1070083116 /nfs/dbraw/zinc/08/31/16/1070083116.db2.gz WWSMVVNXLIUBKP-JKSUJKDBSA-N 1 1 472.660 -0.267 20 0 JBADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)C1 ZINC001299007519 1070084038 /nfs/dbraw/zinc/08/40/38/1070084038.db2.gz PNJJMMANFHPWMD-BEFAXECRSA-N 1 1 457.601 -0.427 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)C1 ZINC001299007520 1070084325 /nfs/dbraw/zinc/08/43/25/1070084325.db2.gz PNJJMMANFHPWMD-DNVCBOLYSA-N 1 1 457.601 -0.427 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)C1 ZINC001299007521 1070084118 /nfs/dbraw/zinc/08/41/18/1070084118.db2.gz PNJJMMANFHPWMD-HNAYVOBHSA-N 1 1 457.601 -0.427 20 0 JBADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)C1 ZINC001299007522 1070084941 /nfs/dbraw/zinc/08/49/41/1070084941.db2.gz PNJJMMANFHPWMD-KXBFYZLASA-N 1 1 457.601 -0.427 20 0 JBADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299022472 1070084727 /nfs/dbraw/zinc/08/47/27/1070084727.db2.gz HWSXWEIYOWMPDW-JXFKEZNVSA-N 1 1 471.628 -0.086 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299022489 1070085121 /nfs/dbraw/zinc/08/51/21/1070085121.db2.gz HWSXWEIYOWMPDW-OXJNMPFZSA-N 1 1 471.628 -0.086 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299022492 1070084911 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ZINC001299128407 1070091551 /nfs/dbraw/zinc/09/15/51/1070091551.db2.gz LZVGJSYGDPYZQB-KFWWJZLASA-N 1 1 466.568 -0.701 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001299128408 1070091462 /nfs/dbraw/zinc/09/14/62/1070091462.db2.gz LZVGJSYGDPYZQB-KKUMJFAQSA-N 1 1 466.568 -0.701 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001299128409 1070091611 /nfs/dbraw/zinc/09/16/11/1070091611.db2.gz LZVGJSYGDPYZQB-ZNMIVQPWSA-N 1 1 466.568 -0.701 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001299128635 1070091643 /nfs/dbraw/zinc/09/16/43/1070091643.db2.gz NIJISJSVBINPMZ-INIZCTEOSA-N 1 1 450.588 -0.607 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001299128637 1070091335 /nfs/dbraw/zinc/09/13/35/1070091335.db2.gz NIJISJSVBINPMZ-MRXNPFEDSA-N 1 1 450.588 -0.607 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001299129198 1070091955 /nfs/dbraw/zinc/09/19/55/1070091955.db2.gz SMZVFCIFMZOERX-APWZRJJASA-N 1 1 491.618 -0.102 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001299129199 1070092224 /nfs/dbraw/zinc/09/22/24/1070092224.db2.gz SMZVFCIFMZOERX-LPHOPBHVSA-N 1 1 491.618 -0.102 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001299129200 1070092286 /nfs/dbraw/zinc/09/22/86/1070092286.db2.gz SMZVFCIFMZOERX-QFBILLFUSA-N 1 1 491.618 -0.102 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001299129201 1070092035 /nfs/dbraw/zinc/09/20/35/1070092035.db2.gz SMZVFCIFMZOERX-VQIMIIECSA-N 1 1 491.618 -0.102 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001299129614 1070092696 /nfs/dbraw/zinc/09/26/96/1070092696.db2.gz XWVWASWZOUAODW-GDBMZVCRSA-N 1 1 468.584 -0.175 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001299129615 1070092988 /nfs/dbraw/zinc/09/29/88/1070092988.db2.gz XWVWASWZOUAODW-GOEBONIOSA-N 1 1 468.584 -0.175 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001299129616 1070092866 /nfs/dbraw/zinc/09/28/66/1070092866.db2.gz XWVWASWZOUAODW-HOCLYGCPSA-N 1 1 468.584 -0.175 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001299129617 1070092590 /nfs/dbraw/zinc/09/25/90/1070092590.db2.gz XWVWASWZOUAODW-ZBFHGGJFSA-N 1 1 468.584 -0.175 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC001299129629 1070092817 /nfs/dbraw/zinc/09/28/17/1070092817.db2.gz YBECOGGQUXXQGR-ILXRZTDVSA-N 1 1 466.568 -0.386 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC001299129630 1070092770 /nfs/dbraw/zinc/09/27/70/1070092770.db2.gz YBECOGGQUXXQGR-KFWWJZLASA-N 1 1 466.568 -0.386 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC001299129631 1070092669 /nfs/dbraw/zinc/09/26/69/1070092669.db2.gz YBECOGGQUXXQGR-KKUMJFAQSA-N 1 1 466.568 -0.386 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC001299129632 1070092733 /nfs/dbraw/zinc/09/27/33/1070092733.db2.gz YBECOGGQUXXQGR-ZNMIVQPWSA-N 1 1 466.568 -0.386 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001299129696 1070092924 /nfs/dbraw/zinc/09/29/24/1070092924.db2.gz ZEESEDKAOKYHHQ-IBGZPJMESA-N 1 1 476.626 -0.261 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001299129698 1070092952 /nfs/dbraw/zinc/09/29/52/1070092952.db2.gz ZEESEDKAOKYHHQ-LJQANCHMSA-N 1 1 476.626 -0.261 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001299133705 1070093436 /nfs/dbraw/zinc/09/34/36/1070093436.db2.gz JLUBUUDADUKTGE-AVRDEDQJSA-N 1 1 460.535 -0.020 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001299133706 1070093497 /nfs/dbraw/zinc/09/34/97/1070093497.db2.gz JLUBUUDADUKTGE-GCJKJVERSA-N 1 1 460.535 -0.020 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001299133707 1070093638 /nfs/dbraw/zinc/09/36/38/1070093638.db2.gz JLUBUUDADUKTGE-PGRDOPGGSA-N 1 1 460.535 -0.020 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001299133708 1070093297 /nfs/dbraw/zinc/09/32/97/1070093297.db2.gz JLUBUUDADUKTGE-XMSQKQJNSA-N 1 1 460.535 -0.020 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001299134181 1070093554 /nfs/dbraw/zinc/09/35/54/1070093554.db2.gz ROZGYPIPRLMFIP-AVRDEDQJSA-N 1 1 466.583 -0.008 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001299134182 1070093665 /nfs/dbraw/zinc/09/36/65/1070093665.db2.gz ROZGYPIPRLMFIP-GCJKJVERSA-N 1 1 466.583 -0.008 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001299134183 1070093527 /nfs/dbraw/zinc/09/35/27/1070093527.db2.gz ROZGYPIPRLMFIP-PGRDOPGGSA-N 1 1 466.583 -0.008 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001299134184 1070093462 /nfs/dbraw/zinc/09/34/62/1070093462.db2.gz ROZGYPIPRLMFIP-XMSQKQJNSA-N 1 1 466.583 -0.008 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001299141195 1070094202 /nfs/dbraw/zinc/09/42/02/1070094202.db2.gz NLKGHZIJIAMFAL-IBGZPJMESA-N 1 1 459.599 -0.097 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001299141196 1070094010 /nfs/dbraw/zinc/09/40/10/1070094010.db2.gz NLKGHZIJIAMFAL-LJQANCHMSA-N 1 1 459.599 -0.097 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001299143546 1070094635 /nfs/dbraw/zinc/09/46/35/1070094635.db2.gz YPVPIIOEEUQIGC-MSOLQXFVSA-N 1 1 473.582 -0.428 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001299143574 1070094688 /nfs/dbraw/zinc/09/46/88/1070094688.db2.gz YPVPIIOEEUQIGC-QZTJIDSGSA-N 1 1 473.582 -0.428 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001299143582 1070094914 /nfs/dbraw/zinc/09/49/14/1070094914.db2.gz YPVPIIOEEUQIGC-ROUUACIJSA-N 1 1 473.582 -0.428 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001299143584 1070094757 /nfs/dbraw/zinc/09/47/57/1070094757.db2.gz YPVPIIOEEUQIGC-ZWKOTPCHSA-N 1 1 473.582 -0.428 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001299154740 1067645804 /nfs/dbraw/zinc/64/58/04/1067645804.db2.gz ITTJJKGYVIVJMZ-MSOLQXFVSA-N 1 1 463.583 -0.292 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001299154741 1067645504 /nfs/dbraw/zinc/64/55/04/1067645504.db2.gz ITTJJKGYVIVJMZ-QZTJIDSGSA-N 1 1 463.583 -0.292 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001299154742 1067645593 /nfs/dbraw/zinc/64/55/93/1067645593.db2.gz ITTJJKGYVIVJMZ-ROUUACIJSA-N 1 1 463.583 -0.292 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001299154743 1067645883 /nfs/dbraw/zinc/64/58/83/1067645883.db2.gz ITTJJKGYVIVJMZ-ZWKOTPCHSA-N 1 1 463.583 -0.292 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001299156059 1067660981 /nfs/dbraw/zinc/66/09/81/1067660981.db2.gz FCALPALFZTWHJF-AUUYWEPGSA-N 1 1 457.601 -0.693 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001299156062 1067660899 /nfs/dbraw/zinc/66/08/99/1067660899.db2.gz FCALPALFZTWHJF-IFXJQAMLSA-N 1 1 457.601 -0.693 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001299156071 1067660868 /nfs/dbraw/zinc/66/08/68/1067660868.db2.gz FCALPALFZTWHJF-KUHUBIRLSA-N 1 1 457.601 -0.693 20 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0 JBADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1S(C)(=O)=O ZINC001302898510 1070230373 /nfs/dbraw/zinc/23/03/73/1070230373.db2.gz ILGKZWVGNCHPSZ-YWZLYKJASA-N 1 1 497.647 -0.194 20 0 JBADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001302901631 1070230350 /nfs/dbraw/zinc/23/03/50/1070230350.db2.gz NJQDQWOCCCZEML-HDICACEKSA-N 1 1 463.583 -0.082 20 0 JBADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001302901631 1070230336 /nfs/dbraw/zinc/23/03/36/1070230336.db2.gz NJQDQWOCCCZEML-HDICACEKSA-N 1 1 463.583 -0.082 20 0 JBADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 ZINC001302902180 1070230412 /nfs/dbraw/zinc/23/04/12/1070230412.db2.gz XKYXAEUVMOHZMM-CALCHBBNSA-N 1 1 471.628 -0.001 20 0 JBADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 ZINC001302902180 1070230401 /nfs/dbraw/zinc/23/04/01/1070230401.db2.gz XKYXAEUVMOHZMM-CALCHBBNSA-N 1 1 471.628 -0.001 20 0 JBADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O ZINC001302902991 1070230168 /nfs/dbraw/zinc/23/01/68/1070230168.db2.gz TVIZYGIFMOYFLS-HOTGVXAUSA-N 1 1 490.652 -0.581 20 0 JBADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O ZINC001302902991 1070230153 /nfs/dbraw/zinc/23/01/53/1070230153.db2.gz TVIZYGIFMOYFLS-HOTGVXAUSA-N 1 1 490.652 -0.581 20 0 JBADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O ZINC001302902992 1070230296 /nfs/dbraw/zinc/23/02/96/1070230296.db2.gz TVIZYGIFMOYFLS-JKSUJKDBSA-N 1 1 490.652 -0.581 20 0 JBADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O ZINC001302902992 1070230284 /nfs/dbraw/zinc/23/02/84/1070230284.db2.gz TVIZYGIFMOYFLS-JKSUJKDBSA-N 1 1 490.652 -0.581 20 0 JBADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@H](C)O1 ZINC001302905367 1070230478 /nfs/dbraw/zinc/23/04/78/1070230478.db2.gz MOSGHSLREXNUFA-OWCLPIDISA-N 1 1 459.555 -0.072 20 0 JBADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@H](C)O1 ZINC001302905367 1070230467 /nfs/dbraw/zinc/23/04/67/1070230467.db2.gz MOSGHSLREXNUFA-OWCLPIDISA-N 1 1 459.555 -0.072 20 0 JBADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@H](C)O1 ZINC001302905368 1070230108 /nfs/dbraw/zinc/23/01/08/1070230108.db2.gz MOSGHSLREXNUFA-XHSDSOJGSA-N 1 1 459.555 -0.072 20 0 JBADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@H](C)O1 ZINC001302905368 1070230097 /nfs/dbraw/zinc/23/00/97/1070230097.db2.gz MOSGHSLREXNUFA-XHSDSOJGSA-N 1 1 459.555 -0.072 20 0 JBADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001303049083 1070232776 /nfs/dbraw/zinc/23/27/76/1070232776.db2.gz BKIURHONBHCZJO-KRWDZBQOSA-N 1 1 456.565 -0.173 20 0 JBADMO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001303049083 1070232764 /nfs/dbraw/zinc/23/27/64/1070232764.db2.gz BKIURHONBHCZJO-KRWDZBQOSA-N 1 1 456.565 -0.173 20 0 JBADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001303049084 1070232817 /nfs/dbraw/zinc/23/28/17/1070232817.db2.gz BKIURHONBHCZJO-QGZVFWFLSA-N 1 1 456.565 -0.173 20 0 JBADMO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001303049084 1070232801 /nfs/dbraw/zinc/23/28/01/1070232801.db2.gz BKIURHONBHCZJO-QGZVFWFLSA-N 1 1 456.565 -0.173 20 0 JBADMO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049257 1070232988 /nfs/dbraw/zinc/23/29/88/1070232988.db2.gz CZVYGDDAMOYBQK-LEWJYISDSA-N 1 1 451.612 -0.388 20 0 JBADMO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049258 1070232551 /nfs/dbraw/zinc/23/25/51/1070232551.db2.gz CZVYGDDAMOYBQK-NHCUHLMSSA-N 1 1 451.612 -0.388 20 0 JBADMO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049259 1070232928 /nfs/dbraw/zinc/23/29/28/1070232928.db2.gz CZVYGDDAMOYBQK-RTWAWAEBSA-N 1 1 451.612 -0.388 20 0 JBADMO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049260 1070232616 /nfs/dbraw/zinc/23/26/16/1070232616.db2.gz CZVYGDDAMOYBQK-SFTDATJTSA-N 1 1 451.612 -0.388 20 0 JBADMO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C(=O)C1 ZINC001303049526 1070233046 /nfs/dbraw/zinc/23/30/46/1070233046.db2.gz GKTILENRNWOVLK-GOSISDBHSA-N 1 1 453.584 -0.022 20 0 JBADMO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C(=O)C1 ZINC001303049527 1070232721 /nfs/dbraw/zinc/23/27/21/1070232721.db2.gz GKTILENRNWOVLK-SFHVURJKSA-N 1 1 453.584 -0.022 20 0 JBADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001303172562 1070236336 /nfs/dbraw/zinc/23/63/36/1070236336.db2.gz JERYBADJLXSCQG-MSOLQXFVSA-N 1 1 474.610 -0.069 20 0 JBADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001303172563 1070236402 /nfs/dbraw/zinc/23/64/02/1070236402.db2.gz JERYBADJLXSCQG-QZTJIDSGSA-N 1 1 474.610 -0.069 20 0 JBADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001303172564 1070236419 /nfs/dbraw/zinc/23/64/19/1070236419.db2.gz JERYBADJLXSCQG-ROUUACIJSA-N 1 1 474.610 -0.069 20 0 JBADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001303172565 1070236252 /nfs/dbraw/zinc/23/62/52/1070236252.db2.gz JERYBADJLXSCQG-ZWKOTPCHSA-N 1 1 474.610 -0.069 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201679 1070237036 /nfs/dbraw/zinc/23/70/36/1070237036.db2.gz ONBOCSUVUKJFEU-IKGGRYGDSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201680 1070236853 /nfs/dbraw/zinc/23/68/53/1070236853.db2.gz ONBOCSUVUKJFEU-IXDOHACOSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201681 1070237143 /nfs/dbraw/zinc/23/71/43/1070237143.db2.gz ONBOCSUVUKJFEU-ULQDDVLXSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201682 1070237264 /nfs/dbraw/zinc/23/72/64/1070237264.db2.gz ONBOCSUVUKJFEU-YESZJQIVSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204560 1070237008 /nfs/dbraw/zinc/23/70/08/1070237008.db2.gz JVLRWSYQDQGVJC-CVEARBPZSA-N 1 1 457.601 -0.429 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204561 1070237220 /nfs/dbraw/zinc/23/72/20/1070237220.db2.gz JVLRWSYQDQGVJC-HOTGVXAUSA-N 1 1 457.601 -0.429 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204562 1070237106 /nfs/dbraw/zinc/23/71/06/1070237106.db2.gz JVLRWSYQDQGVJC-HZPDHXFCSA-N 1 1 457.601 -0.429 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204563 1070237840 /nfs/dbraw/zinc/23/78/40/1070237840.db2.gz JVLRWSYQDQGVJC-JKSUJKDBSA-N 1 1 457.601 -0.429 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001303207335 1070237642 /nfs/dbraw/zinc/23/76/42/1070237642.db2.gz UOMBUFDGAGCCFK-GOSISDBHSA-N 1 1 483.639 -0.161 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001303207336 1070237671 /nfs/dbraw/zinc/23/76/71/1070237671.db2.gz UOMBUFDGAGCCFK-SFHVURJKSA-N 1 1 483.639 -0.161 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303207459 1070237734 /nfs/dbraw/zinc/23/77/34/1070237734.db2.gz YROBPGCMDXMXMG-MSOLQXFVSA-N 1 1 499.638 -0.754 20 0 JBADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303207461 1070237766 /nfs/dbraw/zinc/23/77/66/1070237766.db2.gz YROBPGCMDXMXMG-QZTJIDSGSA-N 1 1 499.638 -0.754 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303207463 1070237805 /nfs/dbraw/zinc/23/78/05/1070237805.db2.gz YROBPGCMDXMXMG-ROUUACIJSA-N 1 1 499.638 -0.754 20 0 JBADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303207465 1070237574 /nfs/dbraw/zinc/23/75/74/1070237574.db2.gz YROBPGCMDXMXMG-ZWKOTPCHSA-N 1 1 499.638 -0.754 20 0 JBADMO CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001303228476 1070237606 /nfs/dbraw/zinc/23/76/06/1070237606.db2.gz OHMIMAYOTMTZOX-DBXWQHBBSA-N 1 1 486.639 -0.071 20 0 JBADMO CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001303228477 1070237871 /nfs/dbraw/zinc/23/78/71/1070237871.db2.gz OHMIMAYOTMTZOX-LQWHRVPQSA-N 1 1 486.639 -0.071 20 0 JBADMO CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001303228478 1070237693 /nfs/dbraw/zinc/23/76/93/1070237693.db2.gz OHMIMAYOTMTZOX-LVCYWYKZSA-N 1 1 486.639 -0.071 20 0 JBADMO 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ZINC001303830138 1070267587 /nfs/dbraw/zinc/26/75/87/1070267587.db2.gz WNHBDSWTXINTGF-TXPKVOOTSA-N 1 1 458.585 -0.395 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303830510 1070267899 /nfs/dbraw/zinc/26/78/99/1070267899.db2.gz YXALTUOGXNJDPR-DOTOQJQBSA-N 1 1 470.644 -0.527 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303830526 1070267983 /nfs/dbraw/zinc/26/79/83/1070267983.db2.gz YXALTUOGXNJDPR-NVXWUHKLSA-N 1 1 470.644 -0.527 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303830612 1070267681 /nfs/dbraw/zinc/26/76/81/1070267681.db2.gz YXALTUOGXNJDPR-RDJZCZTQSA-N 1 1 470.644 -0.527 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303830614 1070267876 /nfs/dbraw/zinc/26/78/76/1070267876.db2.gz YXALTUOGXNJDPR-WBVHZDCISA-N 1 1 470.644 -0.527 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001303835571 1070268436 /nfs/dbraw/zinc/26/84/36/1070268436.db2.gz BQWHKXBJGCVNJK-KBPBESRZSA-N 1 1 479.554 -0.572 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001303835572 1070268525 /nfs/dbraw/zinc/26/85/25/1070268525.db2.gz BQWHKXBJGCVNJK-KGLIPLIRSA-N 1 1 479.554 -0.572 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001303835573 1070269098 /nfs/dbraw/zinc/26/90/98/1070269098.db2.gz BQWHKXBJGCVNJK-UONOGXRCSA-N 1 1 479.554 -0.572 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001303835574 1070269048 /nfs/dbraw/zinc/26/90/48/1070269048.db2.gz BQWHKXBJGCVNJK-ZIAGYGMSSA-N 1 1 479.554 -0.572 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303837617 1070269653 /nfs/dbraw/zinc/26/96/53/1070269653.db2.gz ASHRMEZRQXCENB-CABCVRRESA-N 1 1 457.601 -0.157 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303837618 1070269422 /nfs/dbraw/zinc/26/94/22/1070269422.db2.gz ASHRMEZRQXCENB-GJZGRUSLSA-N 1 1 457.601 -0.157 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303837619 1070269590 /nfs/dbraw/zinc/26/95/90/1070269590.db2.gz ASHRMEZRQXCENB-HUUCEWRRSA-N 1 1 457.601 -0.157 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303837620 1070269359 /nfs/dbraw/zinc/26/93/59/1070269359.db2.gz ASHRMEZRQXCENB-LSDHHAIUSA-N 1 1 457.601 -0.157 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001303837891 1070269557 /nfs/dbraw/zinc/26/95/57/1070269557.db2.gz BKQPHDNJQLQBSC-AWEZNQCLSA-N 1 1 465.646 -0.254 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001303837892 1070269691 /nfs/dbraw/zinc/26/96/91/1070269691.db2.gz BKQPHDNJQLQBSC-CQSZACIVSA-N 1 1 465.646 -0.254 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303840516 1070270295 /nfs/dbraw/zinc/27/02/95/1070270295.db2.gz RLBBNLUKWOODAA-JLTOFOAXSA-N 1 1 469.612 -0.550 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303840544 1070270317 /nfs/dbraw/zinc/27/03/17/1070270317.db2.gz RLBBNLUKWOODAA-VBKZILBWSA-N 1 1 469.612 -0.550 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303840547 1070270576 /nfs/dbraw/zinc/27/05/76/1070270576.db2.gz RLBBNLUKWOODAA-VLIAUNLRSA-N 1 1 469.612 -0.550 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303840550 1070270727 /nfs/dbraw/zinc/27/07/27/1070270727.db2.gz RLBBNLUKWOODAA-XOBRGWDASA-N 1 1 469.612 -0.550 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCC[NH+]1CCOCC1 ZINC001303841173 1070270662 /nfs/dbraw/zinc/27/06/62/1070270662.db2.gz GTSGORXFDHIPMM-APWZRJJASA-N 1 1 490.652 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-0.007 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303841580 1070271278 /nfs/dbraw/zinc/27/12/78/1070271278.db2.gz WPCDMGGENIHBBB-MRXNPFEDSA-N 1 1 498.654 -0.007 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303841580 1070271268 /nfs/dbraw/zinc/27/12/68/1070271268.db2.gz WPCDMGGENIHBBB-MRXNPFEDSA-N 1 1 498.654 -0.007 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303842565 1070271727 /nfs/dbraw/zinc/27/17/27/1070271727.db2.gz QEJRAKNFFSKOIR-FOIQADDNSA-N 1 1 469.612 -0.596 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303842566 1070271863 /nfs/dbraw/zinc/27/18/63/1070271863.db2.gz QEJRAKNFFSKOIR-MGPUTAFESA-N 1 1 469.612 -0.596 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303842567 1070271998 /nfs/dbraw/zinc/27/19/98/1070271998.db2.gz QEJRAKNFFSKOIR-QRWLVFNGSA-N 1 1 469.612 -0.596 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303842568 1070271794 /nfs/dbraw/zinc/27/17/94/1070271794.db2.gz QEJRAKNFFSKOIR-YWZLYKJASA-N 1 1 469.612 -0.596 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303843794 1070272361 /nfs/dbraw/zinc/27/23/61/1070272361.db2.gz MEQBREPRMHDGIR-HRAATJIYSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303843794 1070272349 /nfs/dbraw/zinc/27/23/49/1070272349.db2.gz MEQBREPRMHDGIR-HRAATJIYSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303843794 1070272333 /nfs/dbraw/zinc/27/23/33/1070272333.db2.gz MEQBREPRMHDGIR-HRAATJIYSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303843795 1070272630 /nfs/dbraw/zinc/27/26/30/1070272630.db2.gz MEQBREPRMHDGIR-IERDGZPVSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303843795 1070272618 /nfs/dbraw/zinc/27/26/18/1070272618.db2.gz MEQBREPRMHDGIR-IERDGZPVSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303843795 1070272609 /nfs/dbraw/zinc/27/26/09/1070272609.db2.gz MEQBREPRMHDGIR-IERDGZPVSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303843796 1070272743 /nfs/dbraw/zinc/27/27/43/1070272743.db2.gz MEQBREPRMHDGIR-IIBYNOLFSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303843796 1070272730 /nfs/dbraw/zinc/27/27/30/1070272730.db2.gz MEQBREPRMHDGIR-IIBYNOLFSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303843796 1070272722 /nfs/dbraw/zinc/27/27/22/1070272722.db2.gz MEQBREPRMHDGIR-IIBYNOLFSA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303843797 1070272510 /nfs/dbraw/zinc/27/25/10/1070272510.db2.gz MEQBREPRMHDGIR-KKSFZXQISA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303843797 1070272495 /nfs/dbraw/zinc/27/24/95/1070272495.db2.gz MEQBREPRMHDGIR-KKSFZXQISA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303843797 1070272483 /nfs/dbraw/zinc/27/24/83/1070272483.db2.gz MEQBREPRMHDGIR-KKSFZXQISA-N 1 1 482.655 -0.369 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCC[NH+]1CCOCC1 ZINC001303845087 1070272687 /nfs/dbraw/zinc/27/26/87/1070272687.db2.gz YJHWKYFXPUSTDO-BEFAXECRSA-N 1 1 455.585 -0.673 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCC[NH+]1CCOCC1 ZINC001303845088 1070272434 /nfs/dbraw/zinc/27/24/34/1070272434.db2.gz YJHWKYFXPUSTDO-DNVCBOLYSA-N 1 1 455.585 -0.673 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCC[NH+]1CCOCC1 ZINC001303845089 1070273294 /nfs/dbraw/zinc/27/32/94/1070273294.db2.gz YJHWKYFXPUSTDO-HNAYVOBHSA-N 1 1 455.585 -0.673 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCC[NH+]1CCOCC1 ZINC001303845090 1070273281 /nfs/dbraw/zinc/27/32/81/1070273281.db2.gz YJHWKYFXPUSTDO-KXBFYZLASA-N 1 1 455.585 -0.673 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303845111 1070273096 /nfs/dbraw/zinc/27/30/96/1070273096.db2.gz KWGANUVRSMZZGE-AWEZNQCLSA-N 1 1 452.585 -0.115 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303845112 1070273176 /nfs/dbraw/zinc/27/31/76/1070273176.db2.gz KWGANUVRSMZZGE-CQSZACIVSA-N 1 1 452.585 -0.115 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303847305 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20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001303857969 1070275532 /nfs/dbraw/zinc/27/55/32/1070275532.db2.gz MPJWZROEEIRCRU-QGZVFWFLSA-N 1 1 493.638 -0.011 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001303857969 1070275525 /nfs/dbraw/zinc/27/55/25/1070275525.db2.gz MPJWZROEEIRCRU-QGZVFWFLSA-N 1 1 493.638 -0.011 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001303857986 1070275738 /nfs/dbraw/zinc/27/57/38/1070275738.db2.gz NBPUKJQTLIPIRB-HNNXBMFYSA-N 1 1 465.646 -0.300 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001303857987 1070275557 /nfs/dbraw/zinc/27/55/57/1070275557.db2.gz NBPUKJQTLIPIRB-OAHLLOKOSA-N 1 1 465.646 -0.300 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001303858444 1070276208 /nfs/dbraw/zinc/27/62/08/1070276208.db2.gz SFBUQAADSIJADB-DYESRHJHSA-N 1 1 499.638 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SFBUQAADSIJADB-UTKZUKDTSA-N 1 1 499.638 -0.826 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001303858447 1070276414 /nfs/dbraw/zinc/27/64/14/1070276414.db2.gz SFBUQAADSIJADB-UWJYYQICSA-N 1 1 499.638 -0.826 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001303858447 1070276406 /nfs/dbraw/zinc/27/64/06/1070276406.db2.gz SFBUQAADSIJADB-UWJYYQICSA-N 1 1 499.638 -0.826 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303858460 1070277024 /nfs/dbraw/zinc/27/70/24/1070277024.db2.gz SIDTUGNHSGMLRR-HTAPYJJXSA-N 1 1 491.618 -0.083 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303858461 1070277187 /nfs/dbraw/zinc/27/71/87/1070277187.db2.gz SIDTUGNHSGMLRR-JTSKRJEESA-N 1 1 491.618 -0.083 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303858462 1070277275 /nfs/dbraw/zinc/27/72/75/1070277275.db2.gz SIDTUGNHSGMLRR-VGOFRKELSA-N 1 1 491.618 -0.083 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303858463 1070277135 /nfs/dbraw/zinc/27/71/35/1070277135.db2.gz SIDTUGNHSGMLRR-VGSWGCGISA-N 1 1 491.618 -0.083 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(C)COC1 ZINC001303858526 1070277097 /nfs/dbraw/zinc/27/70/97/1070277097.db2.gz UNJJLQZOJCPSHE-CVEARBPZSA-N 1 1 469.612 -0.332 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(C)COC1 ZINC001303858527 1070277369 /nfs/dbraw/zinc/27/73/69/1070277369.db2.gz UNJJLQZOJCPSHE-HOTGVXAUSA-N 1 1 469.612 -0.332 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(C)COC1 ZINC001303858528 1070277045 /nfs/dbraw/zinc/27/70/45/1070277045.db2.gz UNJJLQZOJCPSHE-HZPDHXFCSA-N 1 1 469.612 -0.332 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(C)COC1 ZINC001303858529 1070277215 /nfs/dbraw/zinc/27/72/15/1070277215.db2.gz UNJJLQZOJCPSHE-JKSUJKDBSA-N 1 1 469.612 -0.332 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC1(O)CCC1 ZINC001303858958 1070277944 /nfs/dbraw/zinc/27/79/44/1070277944.db2.gz YTHSWRZDNPDXBY-DLBZAZTESA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC1(O)CCC1 ZINC001303858959 1070277720 /nfs/dbraw/zinc/27/77/20/1070277720.db2.gz YTHSWRZDNPDXBY-IAGOWNOFSA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC1(O)CCC1 ZINC001303858960 1070277984 /nfs/dbraw/zinc/27/79/84/1070277984.db2.gz YTHSWRZDNPDXBY-IRXDYDNUSA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC1(O)CCC1 ZINC001303858961 1070277763 /nfs/dbraw/zinc/27/77/63/1070277763.db2.gz YTHSWRZDNPDXBY-SJORKVTESA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303859798 1070279641 /nfs/dbraw/zinc/27/96/41/1070279641.db2.gz VEOXRHNRXKUQGY-ARFHVFGLSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303859799 1070279815 /nfs/dbraw/zinc/27/98/15/1070279815.db2.gz VEOXRHNRXKUQGY-HRCADAONSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303859800 1070279753 /nfs/dbraw/zinc/27/97/53/1070279753.db2.gz VEOXRHNRXKUQGY-JYJNAYRXSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303859801 1070279877 /nfs/dbraw/zinc/27/98/77/1070279877.db2.gz VEOXRHNRXKUQGY-XHSDSOJGSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(=O)N(C)C ZINC001303864341 1070282240 /nfs/dbraw/zinc/28/22/40/1070282240.db2.gz CBMBNACHBKZATF-AEFFLSMTSA-N 1 1 479.607 -0.168 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC(=O)N(C)C ZINC001303864343 1070282212 /nfs/dbraw/zinc/28/22/12/1070282212.db2.gz CBMBNACHBKZATF-FUHWJXTLSA-N 1 1 479.607 -0.168 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC(=O)N(C)C ZINC001303864344 1070282170 /nfs/dbraw/zinc/28/21/70/1070282170.db2.gz CBMBNACHBKZATF-SJLPKXTDSA-N 1 1 479.607 -0.168 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(=O)N(C)C ZINC001303864345 1070282386 /nfs/dbraw/zinc/28/23/86/1070282386.db2.gz CBMBNACHBKZATF-WMZOPIPTSA-N 1 1 479.607 -0.168 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303864720 1070283320 /nfs/dbraw/zinc/28/33/20/1070283320.db2.gz GJWGPTDUDNPCHG-CABCVRRESA-N 1 1 463.630 -0.546 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303864721 1070283563 /nfs/dbraw/zinc/28/35/63/1070283563.db2.gz GJWGPTDUDNPCHG-GJZGRUSLSA-N 1 1 463.630 -0.546 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303864722 1070283687 /nfs/dbraw/zinc/28/36/87/1070283687.db2.gz GJWGPTDUDNPCHG-HUUCEWRRSA-N 1 1 463.630 -0.546 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303864723 1070283386 /nfs/dbraw/zinc/28/33/86/1070283386.db2.gz GJWGPTDUDNPCHG-LSDHHAIUSA-N 1 1 463.630 -0.546 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001303864820 1070283608 /nfs/dbraw/zinc/28/36/08/1070283608.db2.gz IGTYFQQFHKIJKH-IBGZPJMESA-N 1 1 494.666 -0.105 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001303864821 1070283470 /nfs/dbraw/zinc/28/34/70/1070283470.db2.gz IGTYFQQFHKIJKH-LJQANCHMSA-N 1 1 494.666 -0.105 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001303865265 1070284943 /nfs/dbraw/zinc/28/49/43/1070284943.db2.gz PSORRKGHGAPTRZ-BZUAXINKSA-N 1 1 469.612 -0.144 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001303865266 1070284860 /nfs/dbraw/zinc/28/48/60/1070284860.db2.gz PSORRKGHGAPTRZ-OWCLPIDISA-N 1 1 469.612 -0.144 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303865545 1070286446 /nfs/dbraw/zinc/28/64/46/1070286446.db2.gz SYTGXJBSPVHLAG-DLBZAZTESA-N 1 1 493.638 -0.127 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303865546 1070286386 /nfs/dbraw/zinc/28/63/86/1070286386.db2.gz SYTGXJBSPVHLAG-IAGOWNOFSA-N 1 1 493.638 -0.127 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303865547 1070287105 /nfs/dbraw/zinc/28/71/05/1070287105.db2.gz SYTGXJBSPVHLAG-IRXDYDNUSA-N 1 1 493.638 -0.127 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303865548 1070286790 /nfs/dbraw/zinc/28/67/90/1070286790.db2.gz SYTGXJBSPVHLAG-SJORKVTESA-N 1 1 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/nfs/dbraw/zinc/28/92/91/1070289291.db2.gz IGTQCZXIOAFPNZ-SJORKVTESA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303866527 1070288870 /nfs/dbraw/zinc/28/88/70/1070288870.db2.gz IVNDSEWWFASWJE-BBWFWOEESA-N 1 1 484.627 -0.709 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303866528 1070289344 /nfs/dbraw/zinc/28/93/44/1070289344.db2.gz IVNDSEWWFASWJE-GVDBMIGSSA-N 1 1 484.627 -0.709 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303866529 1070289116 /nfs/dbraw/zinc/28/91/16/1070289116.db2.gz IVNDSEWWFASWJE-ULQDDVLXSA-N 1 1 484.627 -0.709 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303866530 1070289070 /nfs/dbraw/zinc/28/90/70/1070289070.db2.gz IVNDSEWWFASWJE-YESZJQIVSA-N 1 1 484.627 -0.709 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001303866827 1070290122 /nfs/dbraw/zinc/29/01/22/1070290122.db2.gz LORNKNDVMOYZDW-CABCVRRESA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303866827 1070290108 /nfs/dbraw/zinc/29/01/08/1070290108.db2.gz LORNKNDVMOYZDW-CABCVRRESA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001303866828 1070289831 /nfs/dbraw/zinc/28/98/31/1070289831.db2.gz LORNKNDVMOYZDW-GJZGRUSLSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303866828 1070289813 /nfs/dbraw/zinc/28/98/13/1070289813.db2.gz LORNKNDVMOYZDW-GJZGRUSLSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001303866829 1070289934 /nfs/dbraw/zinc/28/99/34/1070289934.db2.gz LORNKNDVMOYZDW-HUUCEWRRSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303866829 1070289929 /nfs/dbraw/zinc/28/99/29/1070289929.db2.gz LORNKNDVMOYZDW-HUUCEWRRSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001303866830 1070290017 /nfs/dbraw/zinc/29/00/17/1070290017.db2.gz LORNKNDVMOYZDW-LSDHHAIUSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303866830 1070289998 /nfs/dbraw/zinc/28/99/98/1070289998.db2.gz LORNKNDVMOYZDW-LSDHHAIUSA-N 1 1 471.584 -0.360 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303866854 1070289975 /nfs/dbraw/zinc/28/99/75/1070289975.db2.gz LRONAZOPLDZQOW-INIZCTEOSA-N 1 1 470.644 -0.512 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303866862 1070290154 /nfs/dbraw/zinc/29/01/54/1070290154.db2.gz LRONAZOPLDZQOW-MRXNPFEDSA-N 1 1 470.644 -0.512 20 0 JBADMO 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JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCNC(=O)c1ccccc1F ZINC001303867609 1070290897 /nfs/dbraw/zinc/29/08/97/1070290897.db2.gz QZSZDIRMGVHZRM-HZPDHXFCSA-N 1 1 495.581 -0.022 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCNC(=O)c1ccccc1F ZINC001303867610 1070290862 /nfs/dbraw/zinc/29/08/62/1070290862.db2.gz QZSZDIRMGVHZRM-JKSUJKDBSA-N 1 1 495.581 -0.022 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCNC(=O)c1ccccc1F ZINC001303867610 1070290847 /nfs/dbraw/zinc/29/08/47/1070290847.db2.gz QZSZDIRMGVHZRM-JKSUJKDBSA-N 1 1 495.581 -0.022 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303868127 1070291600 /nfs/dbraw/zinc/29/16/00/1070291600.db2.gz USUDJGDOSXYVNO-CYBMUJFWSA-N 1 1 453.594 -0.056 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303868128 1070291290 /nfs/dbraw/zinc/29/12/90/1070291290.db2.gz USUDJGDOSXYVNO-ZDUSSCGKSA-N 1 1 453.594 -0.056 20 0 JBADMO 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ZINC001303979235 1070297712 /nfs/dbraw/zinc/29/77/12/1070297712.db2.gz FBOBNPZSCIXXTK-QGZVFWFLSA-N 1 1 499.638 -0.577 20 0 JBADMO CC1(C)C[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CCO1 ZINC001303980078 1070297678 /nfs/dbraw/zinc/29/76/78/1070297678.db2.gz QZBLOHRXZNULHP-KRWDZBQOSA-N 1 1 472.612 -0.052 20 0 JBADMO CC1(C)C[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CCO1 ZINC001303980078 1070297666 /nfs/dbraw/zinc/29/76/66/1070297666.db2.gz QZBLOHRXZNULHP-KRWDZBQOSA-N 1 1 472.612 -0.052 20 0 JBADMO CC1(C)C[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CCO1 ZINC001303980089 1070297454 /nfs/dbraw/zinc/29/74/54/1070297454.db2.gz QZBLOHRXZNULHP-QGZVFWFLSA-N 1 1 472.612 -0.052 20 0 JBADMO CC1(C)C[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CCO1 ZINC001303980089 1070297437 /nfs/dbraw/zinc/29/74/37/1070297437.db2.gz QZBLOHRXZNULHP-QGZVFWFLSA-N 1 1 472.612 -0.052 20 0 JBADMO CC1(C)C[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 ZINC001303980695 1070297303 /nfs/dbraw/zinc/29/73/03/1070297303.db2.gz ZXVPTPLFPSOPPW-HNNXBMFYSA-N 1 1 455.585 -0.578 20 0 JBADMO CC1(C)C[N@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 ZINC001303980695 1070297290 /nfs/dbraw/zinc/29/72/90/1070297290.db2.gz ZXVPTPLFPSOPPW-HNNXBMFYSA-N 1 1 455.585 -0.578 20 0 JBADMO CC1(C)C[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 ZINC001303980696 1070297505 /nfs/dbraw/zinc/29/75/05/1070297505.db2.gz ZXVPTPLFPSOPPW-OAHLLOKOSA-N 1 1 455.585 -0.578 20 0 JBADMO CC1(C)C[N@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 ZINC001303980696 1070297491 /nfs/dbraw/zinc/29/74/91/1070297491.db2.gz ZXVPTPLFPSOPPW-OAHLLOKOSA-N 1 1 455.585 -0.578 20 0 JBADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)C1 ZINC001303996645 1070298851 /nfs/dbraw/zinc/29/88/51/1070298851.db2.gz GQJHTYQTUSPIOT-IBGZPJMESA-N 1 1 455.585 -0.636 20 0 JBADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)C1 ZINC001303996654 1070298905 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/nfs/dbraw/zinc/30/45/34/1070304534.db2.gz BFULZCKOLHXESH-DOTOQJQBSA-N 1 1 480.595 -0.079 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001304709977 1070304213 /nfs/dbraw/zinc/30/42/13/1070304213.db2.gz BFULZCKOLHXESH-NVXWUHKLSA-N 1 1 480.595 -0.079 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001304709979 1070304173 /nfs/dbraw/zinc/30/41/73/1070304173.db2.gz BFULZCKOLHXESH-RDJZCZTQSA-N 1 1 480.595 -0.079 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001304709981 1070304614 /nfs/dbraw/zinc/30/46/14/1070304614.db2.gz BFULZCKOLHXESH-WBVHZDCISA-N 1 1 480.595 -0.079 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001304710003 1070304721 /nfs/dbraw/zinc/30/47/21/1070304721.db2.gz BROAPEATEQNPSI-CVEARBPZSA-N 1 1 493.638 -0.117 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001304710005 1070304355 /nfs/dbraw/zinc/30/43/55/1070304355.db2.gz BROAPEATEQNPSI-HOTGVXAUSA-N 1 1 493.638 -0.117 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001304710007 1070304423 /nfs/dbraw/zinc/30/44/23/1070304423.db2.gz BROAPEATEQNPSI-HZPDHXFCSA-N 1 1 493.638 -0.117 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001304710009 1070304688 /nfs/dbraw/zinc/30/46/88/1070304688.db2.gz BROAPEATEQNPSI-JKSUJKDBSA-N 1 1 493.638 -0.117 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001304710018 1070304101 /nfs/dbraw/zinc/30/41/01/1070304101.db2.gz BTDFHWQGVMNWGD-KRWDZBQOSA-N 1 1 493.638 -0.162 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001304710024 1070304314 /nfs/dbraw/zinc/30/43/14/1070304314.db2.gz BTDFHWQGVMNWGD-QGZVFWFLSA-N 1 1 493.638 -0.162 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001304710878 1070304065 /nfs/dbraw/zinc/30/40/65/1070304065.db2.gz MUCBFKDPMALNME-GDBMZVCRSA-N 1 1 466.568 -0.517 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001304710885 1070304024 /nfs/dbraw/zinc/30/40/24/1070304024.db2.gz MUCBFKDPMALNME-GOEBONIOSA-N 1 1 466.568 -0.517 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001304710887 1070304879 /nfs/dbraw/zinc/30/48/79/1070304879.db2.gz MUCBFKDPMALNME-HOCLYGCPSA-N 1 1 466.568 -0.517 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001304710890 1070305068 /nfs/dbraw/zinc/30/50/68/1070305068.db2.gz MUCBFKDPMALNME-ZBFHGGJFSA-N 1 1 466.568 -0.517 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001304711831 1070305127 /nfs/dbraw/zinc/30/51/27/1070305127.db2.gz QGKIKEORKLCMTJ-GDBMZVCRSA-N 1 1 466.568 -0.517 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001304711836 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LLRDKNJGJSAWMC-GJJHYRHESA-N 1 1 472.612 -0.271 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001305133809 1070314999 /nfs/dbraw/zinc/31/49/99/1070314999.db2.gz LLRDKNJGJSAWMC-LPWQTFTOSA-N 1 1 472.612 -0.271 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001305133811 1070315286 /nfs/dbraw/zinc/31/52/86/1070315286.db2.gz LLRDKNJGJSAWMC-WOUAJJJCSA-N 1 1 472.612 -0.271 20 0 JBADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305191910 1070317033 /nfs/dbraw/zinc/31/70/33/1070317033.db2.gz ONXMFSOOEHAOSY-BFYDXBDKSA-N 1 1 469.612 -0.239 20 0 JBADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305191911 1070317288 /nfs/dbraw/zinc/31/72/88/1070317288.db2.gz ONXMFSOOEHAOSY-HLLBOEOZSA-N 1 1 469.612 -0.239 20 0 JBADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305191912 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CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001305273743 1070319570 /nfs/dbraw/zinc/31/95/70/1070319570.db2.gz ZFISMDHUNCMXQY-CLCXKQKWSA-N 1 1 457.601 -0.550 20 0 JBADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001305273744 1070319594 /nfs/dbraw/zinc/31/95/94/1070319594.db2.gz ZFISMDHUNCMXQY-KHYOSLBOSA-N 1 1 457.601 -0.550 20 0 JBADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001305273745 1070319796 /nfs/dbraw/zinc/31/97/96/1070319796.db2.gz ZFISMDHUNCMXQY-QMTMVMCOSA-N 1 1 457.601 -0.550 20 0 JBADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001305273746 1070319865 /nfs/dbraw/zinc/31/98/65/1070319865.db2.gz ZFISMDHUNCMXQY-SPYBWZPUSA-N 1 1 457.601 -0.550 20 0 JBADMO CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305305573 1070320334 /nfs/dbraw/zinc/32/03/34/1070320334.db2.gz HCYLAGWTYWLIRD-BXWFABGCSA-N 1 1 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HCYLAGWTYWLIRD-GJYPPUQNSA-N 1 1 458.585 -0.707 20 0 JBADMO CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305305582 1070320781 /nfs/dbraw/zinc/32/07/81/1070320781.db2.gz HCYLAGWTYWLIRD-MDZRGWNJSA-N 1 1 458.585 -0.707 20 0 JBADMO CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305305582 1070320766 /nfs/dbraw/zinc/32/07/66/1070320766.db2.gz HCYLAGWTYWLIRD-MDZRGWNJSA-N 1 1 458.585 -0.707 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001305616029 1070322439 /nfs/dbraw/zinc/32/24/39/1070322439.db2.gz DAYOHXITYRLWPN-FHWLQOOXSA-N 1 1 485.655 -0.138 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001305616030 1070322538 /nfs/dbraw/zinc/32/25/38/1070322538.db2.gz DAYOHXITYRLWPN-GBESFXJTSA-N 1 1 485.655 -0.138 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001305616031 1070322068 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ZINC001305621490 1070321786 /nfs/dbraw/zinc/32/17/86/1070321786.db2.gz ZFOOIQZGKLKVLZ-JKSUJKDBSA-N 1 1 478.641 -0.424 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305638319 1070323242 /nfs/dbraw/zinc/32/32/42/1070323242.db2.gz NZTSVXDFJGSYGK-BZSNNMDCSA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305638319 1070323224 /nfs/dbraw/zinc/32/32/24/1070323224.db2.gz NZTSVXDFJGSYGK-BZSNNMDCSA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305638322 1070323141 /nfs/dbraw/zinc/32/31/41/1070323141.db2.gz NZTSVXDFJGSYGK-KSZLIROESA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305638322 1070323121 /nfs/dbraw/zinc/32/31/21/1070323121.db2.gz NZTSVXDFJGSYGK-KSZLIROESA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305638324 1070322901 /nfs/dbraw/zinc/32/29/01/1070322901.db2.gz NZTSVXDFJGSYGK-OKZBNKHCSA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305638324 1070322882 /nfs/dbraw/zinc/32/28/82/1070322882.db2.gz NZTSVXDFJGSYGK-OKZBNKHCSA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305638325 1070323046 /nfs/dbraw/zinc/32/30/46/1070323046.db2.gz NZTSVXDFJGSYGK-RCCFBDPRSA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305638325 1070323028 /nfs/dbraw/zinc/32/30/28/1070323028.db2.gz NZTSVXDFJGSYGK-RCCFBDPRSA-N 1 1 499.638 -0.563 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001305756330 1070324886 /nfs/dbraw/zinc/32/48/86/1070324886.db2.gz UQGMIDAFVRPBHI-HTAPYJJXSA-N 1 1 498.650 -0.095 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001305756333 1070325038 /nfs/dbraw/zinc/32/50/38/1070325038.db2.gz UQGMIDAFVRPBHI-JTSKRJEESA-N 1 1 498.650 -0.095 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001305756335 1070325239 /nfs/dbraw/zinc/32/52/39/1070325239.db2.gz UQGMIDAFVRPBHI-VGOFRKELSA-N 1 1 498.650 -0.095 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001305756337 1070324942 /nfs/dbraw/zinc/32/49/42/1070324942.db2.gz UQGMIDAFVRPBHI-VGSWGCGISA-N 1 1 498.650 -0.095 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCS(=O)(=O)NC ZINC001305781592 1070325820 /nfs/dbraw/zinc/32/58/20/1070325820.db2.gz SQRJGHXXORNJEG-KRWDZBQOSA-N 1 1 498.654 -0.512 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCS(=O)(=O)NC ZINC001305781595 1070325620 /nfs/dbraw/zinc/32/56/20/1070325620.db2.gz SQRJGHXXORNJEG-QGZVFWFLSA-N 1 1 498.654 -0.512 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001305787156 1070326351 /nfs/dbraw/zinc/32/63/51/1070326351.db2.gz LFTXFLJMBBKBJK-KRWDZBQOSA-N 1 1 458.567 -0.395 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001305787157 1070326025 /nfs/dbraw/zinc/32/60/25/1070326025.db2.gz LFTXFLJMBBKBJK-QGZVFWFLSA-N 1 1 458.567 -0.395 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001305787351 1070326931 /nfs/dbraw/zinc/32/69/31/1070326931.db2.gz NDWNSBDWYPDVKL-INIZCTEOSA-N 1 1 478.623 -0.608 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001305787352 1070326862 /nfs/dbraw/zinc/32/68/62/1070326862.db2.gz NDWNSBDWYPDVKL-MRXNPFEDSA-N 1 1 478.623 -0.608 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCn1cc[nH+]c1C ZINC001305788287 1070326664 /nfs/dbraw/zinc/32/66/64/1070326664.db2.gz WHLIBWSFNYZMQI-KRWDZBQOSA-N 1 1 471.566 -0.061 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCn1cc[nH+]c1C ZINC001305788288 1070326819 /nfs/dbraw/zinc/32/68/19/1070326819.db2.gz WHLIBWSFNYZMQI-QGZVFWFLSA-N 1 1 471.566 -0.061 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCOCC1 ZINC001305790708 1070327274 /nfs/dbraw/zinc/32/72/74/1070327274.db2.gz WQLYJPQCJOFFOY-KRWDZBQOSA-N 1 1 463.583 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCOCC1 ZINC001305790708 1070327257 /nfs/dbraw/zinc/32/72/57/1070327257.db2.gz WQLYJPQCJOFFOY-KRWDZBQOSA-N 1 1 463.583 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCOCC1 ZINC001305790709 1070327529 /nfs/dbraw/zinc/32/75/29/1070327529.db2.gz WQLYJPQCJOFFOY-QGZVFWFLSA-N 1 1 463.583 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCOCC1 ZINC001305790709 1070327510 /nfs/dbraw/zinc/32/75/10/1070327510.db2.gz WQLYJPQCJOFFOY-QGZVFWFLSA-N 1 1 463.583 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001305790993 1070327355 /nfs/dbraw/zinc/32/73/55/1070327355.db2.gz HOUTUGTXYRHCPQ-DYESRHJHSA-N 1 1 451.572 -0.396 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001305791003 1070327386 /nfs/dbraw/zinc/32/73/86/1070327386.db2.gz HOUTUGTXYRHCPQ-LAUBAEHRSA-N 1 1 451.572 -0.396 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001305791010 1070327310 /nfs/dbraw/zinc/32/73/10/1070327310.db2.gz HOUTUGTXYRHCPQ-UTKZUKDTSA-N 1 1 451.572 -0.396 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001305791016 1070327462 /nfs/dbraw/zinc/32/74/62/1070327462.db2.gz HOUTUGTXYRHCPQ-UWJYYQICSA-N 1 1 451.572 -0.396 20 0 JBADMO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305834355 1070327935 /nfs/dbraw/zinc/32/79/35/1070327935.db2.gz FJGCRHBHFZECMQ-BBWFWOEESA-N 1 1 458.585 -0.443 20 0 JBADMO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305834355 1070327917 /nfs/dbraw/zinc/32/79/17/1070327917.db2.gz FJGCRHBHFZECMQ-BBWFWOEESA-N 1 1 458.585 -0.443 20 0 JBADMO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305834371 1070327779 /nfs/dbraw/zinc/32/77/79/1070327779.db2.gz FJGCRHBHFZECMQ-BRWVUGGUSA-N 1 1 458.585 -0.443 20 0 JBADMO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305834371 1070327762 /nfs/dbraw/zinc/32/77/62/1070327762.db2.gz FJGCRHBHFZECMQ-BRWVUGGUSA-N 1 1 458.585 -0.443 20 0 JBADMO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305834373 1070328047 /nfs/dbraw/zinc/32/80/47/1070328047.db2.gz FJGCRHBHFZECMQ-GVDBMIGSSA-N 1 1 458.585 -0.443 20 0 JBADMO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305834373 1070328029 /nfs/dbraw/zinc/32/80/29/1070328029.db2.gz FJGCRHBHFZECMQ-GVDBMIGSSA-N 1 1 458.585 -0.443 20 0 JBADMO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305834379 1070327991 /nfs/dbraw/zinc/32/79/91/1070327991.db2.gz FJGCRHBHFZECMQ-ZACQAIPSSA-N 1 1 458.585 -0.443 20 0 JBADMO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305834379 1070327974 /nfs/dbraw/zinc/32/79/74/1070327974.db2.gz FJGCRHBHFZECMQ-ZACQAIPSSA-N 1 1 458.585 -0.443 20 0 JBADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001305856231 1070328636 /nfs/dbraw/zinc/32/86/36/1070328636.db2.gz VWCWJWPHWILDJQ-LAUBAEHRSA-N 1 1 453.561 -0.213 20 0 JBADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001305856231 1070328616 /nfs/dbraw/zinc/32/86/16/1070328616.db2.gz VWCWJWPHWILDJQ-LAUBAEHRSA-N 1 1 453.561 -0.213 20 0 JBADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(I)cc2-n2cnnn2)CC1 ZINC001305899550 1070328535 /nfs/dbraw/zinc/32/85/35/1070328535.db2.gz GEGKSBVSQOKNRT-UHFFFAOYSA-N 1 1 455.260 -0.229 20 0 JBADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001306105758 1070328912 /nfs/dbraw/zinc/32/89/12/1070328912.db2.gz PPIMFMWHDWAZJX-AEFFLSMTSA-N 1 1 468.624 -0.231 20 0 JBADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001306105761 1070329101 /nfs/dbraw/zinc/32/91/01/1070329101.db2.gz PPIMFMWHDWAZJX-FUHWJXTLSA-N 1 1 468.624 -0.231 20 0 JBADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001306105762 1070329240 /nfs/dbraw/zinc/32/92/40/1070329240.db2.gz PPIMFMWHDWAZJX-SJLPKXTDSA-N 1 1 468.624 -0.231 20 0 JBADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001306105764 1070328996 /nfs/dbraw/zinc/32/89/96/1070328996.db2.gz PPIMFMWHDWAZJX-WMZOPIPTSA-N 1 1 468.624 -0.231 20 0 JBADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOCCS(C)(=O)=O ZINC001306107862 1070328959 /nfs/dbraw/zinc/32/89/59/1070328959.db2.gz RFURWZLMDPUISK-AEFFLSMTSA-N 1 1 456.613 -0.110 20 0 JBADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOCCS(C)(=O)=O ZINC001306107863 1070329068 /nfs/dbraw/zinc/32/90/68/1070329068.db2.gz RFURWZLMDPUISK-FUHWJXTLSA-N 1 1 456.613 -0.110 20 0 JBADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOCCS(C)(=O)=O ZINC001306107864 1070329187 /nfs/dbraw/zinc/32/91/87/1070329187.db2.gz RFURWZLMDPUISK-SJLPKXTDSA-N 1 1 456.613 -0.110 20 0 JBADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOCCS(C)(=O)=O ZINC001306107865 1070328821 /nfs/dbraw/zinc/32/88/21/1070328821.db2.gz RFURWZLMDPUISK-WMZOPIPTSA-N 1 1 456.613 -0.110 20 0 JBADMO CCc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CC[N@@H+](C)CCOC ZINC001306209671 1070329970 /nfs/dbraw/zinc/32/99/70/1070329970.db2.gz KHSAKYKQLRRNNO-UHFFFAOYSA-N 1 1 454.601 -0.028 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C(C)C ZINC001306250724 1070330499 /nfs/dbraw/zinc/33/04/99/1070330499.db2.gz DGILPJRGHLTMCP-CVEARBPZSA-N 1 1 457.601 -0.334 20 0 JBADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C(C)C ZINC001306250725 1070330707 /nfs/dbraw/zinc/33/07/07/1070330707.db2.gz DGILPJRGHLTMCP-HOTGVXAUSA-N 1 1 457.601 -0.334 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C(C)C ZINC001306250726 1070330802 /nfs/dbraw/zinc/33/08/02/1070330802.db2.gz DGILPJRGHLTMCP-HZPDHXFCSA-N 1 1 457.601 -0.334 20 0 JBADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C(C)C ZINC001306250727 1070330644 /nfs/dbraw/zinc/33/06/44/1070330644.db2.gz DGILPJRGHLTMCP-JKSUJKDBSA-N 1 1 457.601 -0.334 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC001306389744 1070332599 /nfs/dbraw/zinc/33/25/99/1070332599.db2.gz DYEPXMASPLHHLN-AAWZQNATSA-N 1 1 486.639 -0.025 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC001306389745 1070332278 /nfs/dbraw/zinc/33/22/78/1070332278.db2.gz DYEPXMASPLHHLN-HUTLKBDOSA-N 1 1 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CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313909199 1070389623 /nfs/dbraw/zinc/38/96/23/1070389623.db2.gz CEKHMGHKYXKGHI-ROUUACIJSA-N 1 1 498.654 -0.053 20 0 JBADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313909200 1070389384 /nfs/dbraw/zinc/38/93/84/1070389384.db2.gz CEKHMGHKYXKGHI-ZWKOTPCHSA-N 1 1 498.654 -0.053 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001313919997 1070390495 /nfs/dbraw/zinc/39/04/95/1070390495.db2.gz HEKWKJPJPUEIAS-OWSLCNJRSA-N 1 1 482.655 -0.371 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001313919998 1070390273 /nfs/dbraw/zinc/39/02/73/1070390273.db2.gz HEKWKJPJPUEIAS-VSZNYVQBSA-N 1 1 482.655 -0.371 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)CC1 ZINC001313919999 1070390575 /nfs/dbraw/zinc/39/05/75/1070390575.db2.gz HEKWKJPJPUEIAS-XDNAFOTISA-N 1 1 482.655 -0.371 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001313920000 1070390320 /nfs/dbraw/zinc/39/03/20/1070390320.db2.gz HEKWKJPJPUEIAS-XMTFNYHQSA-N 1 1 482.655 -0.371 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921314 1070390997 /nfs/dbraw/zinc/39/09/97/1070390997.db2.gz PQFKEZPHNHTNNB-DLBZAZTESA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921315 1070391283 /nfs/dbraw/zinc/39/12/83/1070391283.db2.gz PQFKEZPHNHTNNB-IAGOWNOFSA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921316 1070391195 /nfs/dbraw/zinc/39/11/95/1070391195.db2.gz PQFKEZPHNHTNNB-IRXDYDNUSA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921317 1070390785 /nfs/dbraw/zinc/39/07/85/1070390785.db2.gz PQFKEZPHNHTNNB-SJORKVTESA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922289 1070390892 /nfs/dbraw/zinc/39/08/92/1070390892.db2.gz VAANYCDAIWPFHP-TVFCKZIOSA-N 1 1 473.644 -0.236 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922290 1070390940 /nfs/dbraw/zinc/39/09/40/1070390940.db2.gz VAANYCDAIWPFHP-XDNAFOTISA-N 1 1 473.644 -0.236 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922291 1070391102 /nfs/dbraw/zinc/39/11/02/1070391102.db2.gz VAANYCDAIWPFHP-XLAORIBOSA-N 1 1 473.644 -0.236 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922292 1070391479 /nfs/dbraw/zinc/39/14/79/1070391479.db2.gz VAANYCDAIWPFHP-XWTMOSNGSA-N 1 1 473.644 -0.236 20 0 JBADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@]3(O)CCS(=O)(=O)C3)CC2)CC1 ZINC001313923600 1070391686 /nfs/dbraw/zinc/39/16/86/1070391686.db2.gz QWEWAFZNCWVUJJ-NRFANRHFSA-N 1 1 468.624 -0.093 20 0 JBADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@]3(O)CCS(=O)(=O)C3)CC2)CC1 ZINC001313923601 1070391960 /nfs/dbraw/zinc/39/19/60/1070391960.db2.gz QWEWAFZNCWVUJJ-OAQYLSRUSA-N 1 1 468.624 -0.093 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001313926573 1070392935 /nfs/dbraw/zinc/39/29/35/1070392935.db2.gz DRBGMXWJYNKMSJ-IBGZPJMESA-N 1 1 498.636 -0.066 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001313926574 1070392732 /nfs/dbraw/zinc/39/27/32/1070392732.db2.gz DRBGMXWJYNKMSJ-LJQANCHMSA-N 1 1 498.636 -0.066 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927613 1070392781 /nfs/dbraw/zinc/39/27/81/1070392781.db2.gz JJTVKNNDHCATQY-MSOLQXFVSA-N 1 1 462.599 -0.450 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927629 1070392278 /nfs/dbraw/zinc/39/22/78/1070392278.db2.gz JJTVKNNDHCATQY-QZTJIDSGSA-N 1 1 462.599 -0.450 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927633 1070392523 /nfs/dbraw/zinc/39/25/23/1070392523.db2.gz JJTVKNNDHCATQY-ROUUACIJSA-N 1 1 462.599 -0.450 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927635 1070392827 /nfs/dbraw/zinc/39/28/27/1070392827.db2.gz JJTVKNNDHCATQY-ZWKOTPCHSA-N 1 1 462.599 -0.450 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313928487 1070392240 /nfs/dbraw/zinc/39/22/40/1070392240.db2.gz PMKORDNYGXPRPD-GOSISDBHSA-N 1 1 461.615 -0.112 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313928488 1070392986 /nfs/dbraw/zinc/39/29/86/1070392986.db2.gz PMKORDNYGXPRPD-SFHVURJKSA-N 1 1 461.615 -0.112 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001313931194 1070392352 /nfs/dbraw/zinc/39/23/52/1070392352.db2.gz PRWFFHPVWCBBJZ-KBPBESRZSA-N 1 1 451.619 -0.642 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001313931198 1070392683 /nfs/dbraw/zinc/39/26/83/1070392683.db2.gz PRWFFHPVWCBBJZ-KGLIPLIRSA-N 1 1 451.619 -0.642 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001313931200 1070393729 /nfs/dbraw/zinc/39/37/29/1070393729.db2.gz PRWFFHPVWCBBJZ-UONOGXRCSA-N 1 1 451.619 -0.642 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001313931202 1070393564 /nfs/dbraw/zinc/39/35/64/1070393564.db2.gz PRWFFHPVWCBBJZ-ZIAGYGMSSA-N 1 1 451.619 -0.642 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941819 1070393781 /nfs/dbraw/zinc/39/37/81/1070393781.db2.gz AKXAGZJFTAQKDZ-CVEARBPZSA-N 1 1 456.617 -0.807 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941826 1070393829 /nfs/dbraw/zinc/39/38/29/1070393829.db2.gz AKXAGZJFTAQKDZ-HOTGVXAUSA-N 1 1 456.617 -0.807 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941828 1070394254 /nfs/dbraw/zinc/39/42/54/1070394254.db2.gz AKXAGZJFTAQKDZ-HZPDHXFCSA-N 1 1 456.617 -0.807 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941830 1070394843 /nfs/dbraw/zinc/39/48/43/1070394843.db2.gz AKXAGZJFTAQKDZ-JKSUJKDBSA-N 1 1 456.617 -0.807 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(C)COCCO3)C2)CC1 ZINC001313945266 1070394988 /nfs/dbraw/zinc/39/49/88/1070394988.db2.gz MUOTXVQBYOBJDY-DBXWQHBBSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(C)COCCO3)C2)CC1 ZINC001313945267 1070394643 /nfs/dbraw/zinc/39/46/43/1070394643.db2.gz MUOTXVQBYOBJDY-OPYAIIAOSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(C)COCCO3)C2)CC1 ZINC001313945268 1070394791 /nfs/dbraw/zinc/39/47/91/1070394791.db2.gz MUOTXVQBYOBJDY-UEXGIBASSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(C)COCCO3)C2)CC1 ZINC001313945269 1070394305 /nfs/dbraw/zinc/39/43/05/1070394305.db2.gz MUOTXVQBYOBJDY-WAOWUJCRSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CCSC3)C2)CC1 ZINC001313945663 1070395063 /nfs/dbraw/zinc/39/50/63/1070395063.db2.gz SKAYJQWAYONQLA-HLIPFELVSA-N 1 1 487.696 -0.028 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(O)CCSC3)C2)CC1 ZINC001313945664 1070394896 /nfs/dbraw/zinc/39/48/96/1070394896.db2.gz SKAYJQWAYONQLA-MBOZVWFJSA-N 1 1 487.696 -0.028 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CCSC3)C2)CC1 ZINC001313945665 1070396026 /nfs/dbraw/zinc/39/60/26/1070396026.db2.gz SKAYJQWAYONQLA-QKLQHJQFSA-N 1 1 487.696 -0.028 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(O)CCSC3)C2)CC1 ZINC001313945666 1070395649 /nfs/dbraw/zinc/39/56/49/1070395649.db2.gz SKAYJQWAYONQLA-SQGPQFPESA-N 1 1 487.696 -0.028 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001313947474 1070395430 /nfs/dbraw/zinc/39/54/30/1070395430.db2.gz ALMUFEUTPRPQKN-IBGZPJMESA-N 1 1 496.682 -0.056 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001313947480 1070395357 /nfs/dbraw/zinc/39/53/57/1070395357.db2.gz ALMUFEUTPRPQKN-LJQANCHMSA-N 1 1 496.682 -0.056 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313947960 1070396080 /nfs/dbraw/zinc/39/60/80/1070396080.db2.gz OCPKEPHLKKAMFT-GOSISDBHSA-N 1 1 465.628 -0.166 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313947962 1070395303 /nfs/dbraw/zinc/39/53/03/1070395303.db2.gz OCPKEPHLKKAMFT-SFHVURJKSA-N 1 1 465.628 -0.166 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001313948062 1070396127 /nfs/dbraw/zinc/39/61/27/1070396127.db2.gz FCGBPKOKLNKNPY-IBGZPJMESA-N 1 1 496.682 -0.131 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948066 1070395589 /nfs/dbraw/zinc/39/55/89/1070395589.db2.gz OUZHCORFKNYDTO-MSOLQXFVSA-N 1 1 455.629 -0.063 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001313948072 1070395817 /nfs/dbraw/zinc/39/58/17/1070395817.db2.gz FCGBPKOKLNKNPY-LJQANCHMSA-N 1 1 496.682 -0.131 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948093 1070395520 /nfs/dbraw/zinc/39/55/20/1070395520.db2.gz OUZHCORFKNYDTO-QZTJIDSGSA-N 1 1 455.629 -0.063 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948096 1070395873 /nfs/dbraw/zinc/39/58/73/1070395873.db2.gz OUZHCORFKNYDTO-ROUUACIJSA-N 1 1 455.629 -0.063 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948099 1070395478 /nfs/dbraw/zinc/39/54/78/1070395478.db2.gz OUZHCORFKNYDTO-ZWKOTPCHSA-N 1 1 455.629 -0.063 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001313949569 1070395760 /nfs/dbraw/zinc/39/57/60/1070395760.db2.gz JXNNWPBFUDJVEJ-BZSNNMDCSA-N 1 1 498.654 -0.197 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001313949570 1070395709 /nfs/dbraw/zinc/39/57/09/1070395709.db2.gz JXNNWPBFUDJVEJ-KSZLIROESA-N 1 1 498.654 -0.197 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001313949572 1070396587 /nfs/dbraw/zinc/39/65/87/1070396587.db2.gz JXNNWPBFUDJVEJ-OKZBNKHCSA-N 1 1 498.654 -0.197 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001313949573 1070396874 /nfs/dbraw/zinc/39/68/74/1070396874.db2.gz JXNNWPBFUDJVEJ-RCCFBDPRSA-N 1 1 498.654 -0.197 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949857 1070396836 /nfs/dbraw/zinc/39/68/36/1070396836.db2.gz LLBWDFUACCSBDV-MSOLQXFVSA-N 1 1 499.686 -0.377 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949858 1070396511 /nfs/dbraw/zinc/39/65/11/1070396511.db2.gz LLBWDFUACCSBDV-QZTJIDSGSA-N 1 1 499.686 -0.377 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949859 1070396928 /nfs/dbraw/zinc/39/69/28/1070396928.db2.gz LLBWDFUACCSBDV-ROUUACIJSA-N 1 1 499.686 -0.377 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949860 1070396688 /nfs/dbraw/zinc/39/66/88/1070396688.db2.gz LLBWDFUACCSBDV-ZWKOTPCHSA-N 1 1 499.686 -0.377 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001313952456 1070396374 /nfs/dbraw/zinc/39/63/74/1070396374.db2.gz QKRHEXZCICZCSX-KURKYZTESA-N 1 1 471.628 -0.133 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001313952457 1070396801 /nfs/dbraw/zinc/39/68/01/1070396801.db2.gz QKRHEXZCICZCSX-OKZBNKHCSA-N 1 1 471.628 -0.133 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC001313952875 1070396554 /nfs/dbraw/zinc/39/65/54/1070396554.db2.gz UTIWTJXAQUAKTD-UHFFFAOYSA-N 1 1 462.643 -0.015 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001313953358 1070397053 /nfs/dbraw/zinc/39/70/53/1070397053.db2.gz XWRQHWINTFBRCQ-GOSISDBHSA-N 1 1 464.615 -0.215 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001313953363 1070396743 /nfs/dbraw/zinc/39/67/43/1070396743.db2.gz XWRQHWINTFBRCQ-SFHVURJKSA-N 1 1 464.615 -0.215 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)CC1 ZINC001313953530 1070397030 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498.650 -0.288 20 0 JBADMO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1 ZINC001314856321 1070471506 /nfs/dbraw/zinc/47/15/06/1070471506.db2.gz RTPJDNVWOXACSQ-KRWDZBQOSA-N 1 1 492.668 -0.032 20 0 JBADMO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1 ZINC001314856322 1070471635 /nfs/dbraw/zinc/47/16/35/1070471635.db2.gz RTPJDNVWOXACSQ-QGZVFWFLSA-N 1 1 492.668 -0.032 20 0 JBADMO Cn1cc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCCNS(C)(=O)=O)cn1 ZINC001314896552 1070475433 /nfs/dbraw/zinc/47/54/33/1070475433.db2.gz LLOHLCPUXCPXPH-IBGZPJMESA-N 1 1 452.585 -0.081 20 0 JBADMO Cn1cc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCNS(C)(=O)=O)cn1 ZINC001314896553 1070475354 /nfs/dbraw/zinc/47/53/54/1070475354.db2.gz LLOHLCPUXCPXPH-LJQANCHMSA-N 1 1 452.585 -0.081 20 0 JBADMO Cn1cc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCNS(C)(=O)=O)cn1 ZINC001314900285 1070476382 /nfs/dbraw/zinc/47/63/82/1070476382.db2.gz HDLSWVBWXUDVMW-UHFFFAOYSA-N 1 1 479.611 -0.638 20 0 JBADMO 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20 0 JBADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001314922651 1070479527 /nfs/dbraw/zinc/47/95/27/1070479527.db2.gz JKOOYKFSUPKECH-FCHUYYIVSA-N 1 1 491.618 -0.036 20 0 JBADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001314922652 1070479448 /nfs/dbraw/zinc/47/94/48/1070479448.db2.gz JKOOYKFSUPKECH-FGZHOGPDSA-N 1 1 491.618 -0.036 20 0 JBADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001314922653 1070479228 /nfs/dbraw/zinc/47/92/28/1070479228.db2.gz JKOOYKFSUPKECH-VXKWHMMOSA-N 1 1 491.618 -0.036 20 0 JBADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001314922654 1070479244 /nfs/dbraw/zinc/47/92/44/1070479244.db2.gz JKOOYKFSUPKECH-YADHBBJMSA-N 1 1 491.618 -0.036 20 0 JBADMO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001314922720 1070479340 /nfs/dbraw/zinc/47/93/40/1070479340.db2.gz HCRBTNODUWEHHL-DYESRHJHSA-N 1 1 468.624 -0.059 20 0 JBADMO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001314922720 1070479335 /nfs/dbraw/zinc/47/93/35/1070479335.db2.gz HCRBTNODUWEHHL-DYESRHJHSA-N 1 1 468.624 -0.059 20 0 JBADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001314922721 1070479518 /nfs/dbraw/zinc/47/95/18/1070479518.db2.gz HCRBTNODUWEHHL-LAUBAEHRSA-N 1 1 468.624 -0.059 20 0 JBADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001314922721 1070479516 /nfs/dbraw/zinc/47/95/16/1070479516.db2.gz HCRBTNODUWEHHL-LAUBAEHRSA-N 1 1 468.624 -0.059 20 0 JBADMO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001314922722 1070479466 /nfs/dbraw/zinc/47/94/66/1070479466.db2.gz HCRBTNODUWEHHL-UTKZUKDTSA-N 1 1 468.624 -0.059 20 0 JBADMO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001314922722 1070479457 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1070479500 /nfs/dbraw/zinc/47/95/00/1070479500.db2.gz KVYUBIHKIGJCFR-SIKLNZKXSA-N 1 1 494.618 -0.324 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCO)Cc2ccccc2)C1 ZINC001314923276 1070479416 /nfs/dbraw/zinc/47/94/16/1070479416.db2.gz KVYUBIHKIGJCFR-UGKGYDQZSA-N 1 1 494.618 -0.324 20 0 JBADMO Cn1cccc1-c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCNS(C)(=O)=O ZINC001314923664 1070479478 /nfs/dbraw/zinc/47/94/78/1070479478.db2.gz GBHFFOMZGGBYET-GOSISDBHSA-N 1 1 478.623 -0.034 20 0 JBADMO Cn1cccc1-c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCNS(C)(=O)=O ZINC001314923666 1070479285 /nfs/dbraw/zinc/47/92/85/1070479285.db2.gz GBHFFOMZGGBYET-SFHVURJKSA-N 1 1 478.623 -0.034 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314923818 1070479436 /nfs/dbraw/zinc/47/94/36/1070479436.db2.gz OZLWDMKGWYOYEH-DYESRHJHSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314923818 1070479431 /nfs/dbraw/zinc/47/94/31/1070479431.db2.gz OZLWDMKGWYOYEH-DYESRHJHSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314923822 1070479366 /nfs/dbraw/zinc/47/93/66/1070479366.db2.gz OZLWDMKGWYOYEH-LAUBAEHRSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314923822 1070479362 /nfs/dbraw/zinc/47/93/62/1070479362.db2.gz OZLWDMKGWYOYEH-LAUBAEHRSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314923824 1070480132 /nfs/dbraw/zinc/48/01/32/1070480132.db2.gz OZLWDMKGWYOYEH-UTKZUKDTSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314923824 1070480123 /nfs/dbraw/zinc/48/01/23/1070480123.db2.gz OZLWDMKGWYOYEH-UTKZUKDTSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314923826 1070480335 /nfs/dbraw/zinc/48/03/35/1070480335.db2.gz OZLWDMKGWYOYEH-UWJYYQICSA-N 1 1 462.576 -0.018 20 0 JBADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314923826 1070480328 /nfs/dbraw/zinc/48/03/28/1070480328.db2.gz OZLWDMKGWYOYEH-UWJYYQICSA-N 1 1 462.576 -0.018 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924130 1070480048 /nfs/dbraw/zinc/48/00/48/1070480048.db2.gz LHJGGPIKRODLLO-KBPBESRZSA-N 1 1 486.499 -0.350 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924131 1070480293 /nfs/dbraw/zinc/48/02/93/1070480293.db2.gz LHJGGPIKRODLLO-KGLIPLIRSA-N 1 1 486.499 -0.350 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924132 1070480405 /nfs/dbraw/zinc/48/04/05/1070480405.db2.gz LHJGGPIKRODLLO-UONOGXRCSA-N 1 1 486.499 -0.350 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924133 1070480153 /nfs/dbraw/zinc/48/01/53/1070480153.db2.gz LHJGGPIKRODLLO-ZIAGYGMSSA-N 1 1 486.499 -0.350 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001314924191 1070480089 /nfs/dbraw/zinc/48/00/89/1070480089.db2.gz VLTFDGDXYBMNQK-IBGZPJMESA-N 1 1 464.552 -0.926 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001314924192 1070480183 /nfs/dbraw/zinc/48/01/83/1070480183.db2.gz VLTFDGDXYBMNQK-LJQANCHMSA-N 1 1 464.552 -0.926 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)CC1 ZINC001314924803 1070480359 /nfs/dbraw/zinc/48/03/59/1070480359.db2.gz PTSCHJYWENVVFS-IBGZPJMESA-N 1 1 490.634 -0.054 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)CC1 ZINC001314924822 1070480379 /nfs/dbraw/zinc/48/03/79/1070480379.db2.gz PTSCHJYWENVVFS-LJQANCHMSA-N 1 1 490.634 -0.054 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001314925043 1070480218 /nfs/dbraw/zinc/48/02/18/1070480218.db2.gz RDCYYOFYVPZJRL-GOSISDBHSA-N 1 1 476.607 -0.026 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001314925044 1070480252 /nfs/dbraw/zinc/48/02/52/1070480252.db2.gz RDCYYOFYVPZJRL-SFHVURJKSA-N 1 1 476.607 -0.026 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)CC1 ZINC001314925338 1070481136 /nfs/dbraw/zinc/48/11/36/1070481136.db2.gz XEMQUSWVKCYQCR-IBGZPJMESA-N 1 1 490.634 -0.054 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)CC1 ZINC001314925339 1070481245 /nfs/dbraw/zinc/48/12/45/1070481245.db2.gz XEMQUSWVKCYQCR-LJQANCHMSA-N 1 1 490.634 -0.054 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001314927914 1070481109 /nfs/dbraw/zinc/48/11/09/1070481109.db2.gz MUEILBMRYIDGLC-FQEVSTJZSA-N 1 1 497.647 -0.192 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001314927915 1070481219 /nfs/dbraw/zinc/48/12/19/1070481219.db2.gz MUEILBMRYIDGLC-HXUWFJFHSA-N 1 1 497.647 -0.192 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)C1 ZINC001314927944 1070481272 /nfs/dbraw/zinc/48/12/72/1070481272.db2.gz NCSGBFSGLKXICU-JOCHJYFZSA-N 1 1 463.583 -0.850 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)C1 ZINC001314927947 1070481203 /nfs/dbraw/zinc/48/12/03/1070481203.db2.gz NCSGBFSGLKXICU-QFIPXVFZSA-N 1 1 463.583 -0.850 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001314934528 1070482846 /nfs/dbraw/zinc/48/28/46/1070482846.db2.gz MRELEGFSSCJLLJ-CVEARBPZSA-N 1 1 498.654 -0.597 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001314934536 1070482876 /nfs/dbraw/zinc/48/28/76/1070482876.db2.gz MRELEGFSSCJLLJ-HOTGVXAUSA-N 1 1 498.654 -0.597 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001314934538 1070482824 /nfs/dbraw/zinc/48/28/24/1070482824.db2.gz MRELEGFSSCJLLJ-HZPDHXFCSA-N 1 1 498.654 -0.597 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001314934539 1070482710 /nfs/dbraw/zinc/48/27/10/1070482710.db2.gz MRELEGFSSCJLLJ-JKSUJKDBSA-N 1 1 498.654 -0.597 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314951525 1070484995 /nfs/dbraw/zinc/48/49/95/1070484995.db2.gz QVPFXRSIHMGKOM-CABCVRRESA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314951525 1070484989 /nfs/dbraw/zinc/48/49/89/1070484989.db2.gz QVPFXRSIHMGKOM-CABCVRRESA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314951542 1070485018 /nfs/dbraw/zinc/48/50/18/1070485018.db2.gz QVPFXRSIHMGKOM-GJZGRUSLSA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314951542 1070485015 /nfs/dbraw/zinc/48/50/15/1070485015.db2.gz QVPFXRSIHMGKOM-GJZGRUSLSA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314951543 1070485096 /nfs/dbraw/zinc/48/50/96/1070485096.db2.gz QVPFXRSIHMGKOM-HUUCEWRRSA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314951543 1070485089 /nfs/dbraw/zinc/48/50/89/1070485089.db2.gz QVPFXRSIHMGKOM-HUUCEWRRSA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314951544 1070485120 /nfs/dbraw/zinc/48/51/20/1070485120.db2.gz QVPFXRSIHMGKOM-LSDHHAIUSA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314951544 1070485116 /nfs/dbraw/zinc/48/51/16/1070485116.db2.gz QVPFXRSIHMGKOM-LSDHHAIUSA-N 1 1 459.617 -0.183 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001314959293 1070485663 /nfs/dbraw/zinc/48/56/63/1070485663.db2.gz NEGXVEKKTIORQY-BFYDXBDKSA-N 1 1 471.628 -0.088 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001314959294 1070486464 /nfs/dbraw/zinc/48/64/64/1070486464.db2.gz NEGXVEKKTIORQY-HLLBOEOZSA-N 1 1 471.628 -0.088 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001314959495 1070486484 /nfs/dbraw/zinc/48/64/84/1070486484.db2.gz NEGXVEKKTIORQY-INMHGKMJSA-N 1 1 471.628 -0.088 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001314959496 1070486452 /nfs/dbraw/zinc/48/64/52/1070486452.db2.gz NEGXVEKKTIORQY-VYDXJSESSA-N 1 1 471.628 -0.088 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314966727 1070487121 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ZINC001314967328 1070487068 /nfs/dbraw/zinc/48/70/68/1070487068.db2.gz OKJHMMOUAHVBFL-HRAATJIYSA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001314967328 1070487061 /nfs/dbraw/zinc/48/70/61/1070487061.db2.gz OKJHMMOUAHVBFL-HRAATJIYSA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001314967330 1070487212 /nfs/dbraw/zinc/48/72/12/1070487212.db2.gz OKJHMMOUAHVBFL-IERDGZPVSA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001314967330 1070487210 /nfs/dbraw/zinc/48/72/10/1070487210.db2.gz OKJHMMOUAHVBFL-IERDGZPVSA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001314967330 1070487206 /nfs/dbraw/zinc/48/72/06/1070487206.db2.gz OKJHMMOUAHVBFL-IERDGZPVSA-N 1 1 484.671 -0.123 20 0 JBADMO 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OKJHMMOUAHVBFL-KKSFZXQISA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001314967334 1070487141 /nfs/dbraw/zinc/48/71/41/1070487141.db2.gz OKJHMMOUAHVBFL-KKSFZXQISA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001314984015 1070488698 /nfs/dbraw/zinc/48/86/98/1070488698.db2.gz BEAZUOHVQGPXFV-DLBZAZTESA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001314984015 1070488696 /nfs/dbraw/zinc/48/86/96/1070488696.db2.gz BEAZUOHVQGPXFV-DLBZAZTESA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001314984015 1070488690 /nfs/dbraw/zinc/48/86/90/1070488690.db2.gz BEAZUOHVQGPXFV-DLBZAZTESA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001314984016 1070488770 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ZINC001314984017 1070488654 /nfs/dbraw/zinc/48/86/54/1070488654.db2.gz BEAZUOHVQGPXFV-IRXDYDNUSA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001314984018 1070488735 /nfs/dbraw/zinc/48/87/35/1070488735.db2.gz BEAZUOHVQGPXFV-SJORKVTESA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001314984018 1070488732 /nfs/dbraw/zinc/48/87/32/1070488732.db2.gz BEAZUOHVQGPXFV-SJORKVTESA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001314984018 1070488728 /nfs/dbraw/zinc/48/87/28/1070488728.db2.gz BEAZUOHVQGPXFV-SJORKVTESA-N 1 1 484.671 -0.123 20 0 JBADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314985453 1070488588 /nfs/dbraw/zinc/48/85/88/1070488588.db2.gz LXFHZDOVWPNGCJ-BRWVUGGUSA-N 1 1 471.628 -0.181 20 0 JBADMO 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JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)CCOC)CCO1 ZINC001315008884 1070493569 /nfs/dbraw/zinc/49/35/69/1070493569.db2.gz UVKPRSTYQWSRSJ-SFHVURJKSA-N 1 1 480.591 -0.122 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)CCOC)CCO1 ZINC001315008884 1070493553 /nfs/dbraw/zinc/49/35/53/1070493553.db2.gz UVKPRSTYQWSRSJ-SFHVURJKSA-N 1 1 480.591 -0.122 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001315009119 1070493657 /nfs/dbraw/zinc/49/36/57/1070493657.db2.gz IWFKNIWRPDGIQV-FQEVSTJZSA-N 1 1 499.620 -0.025 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001315009126 1070493540 /nfs/dbraw/zinc/49/35/40/1070493540.db2.gz IWFKNIWRPDGIQV-HXUWFJFHSA-N 1 1 499.620 -0.025 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315009301 1070493732 /nfs/dbraw/zinc/49/37/32/1070493732.db2.gz XAFNLYDQUAODIJ-DYESRHJHSA-N 1 1 478.575 -0.634 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315009302 1070493687 /nfs/dbraw/zinc/49/36/87/1070493687.db2.gz XAFNLYDQUAODIJ-LAUBAEHRSA-N 1 1 478.575 -0.634 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315009303 1070493587 /nfs/dbraw/zinc/49/35/87/1070493587.db2.gz XAFNLYDQUAODIJ-UTKZUKDTSA-N 1 1 478.575 -0.634 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315009304 1070493626 /nfs/dbraw/zinc/49/36/26/1070493626.db2.gz XAFNLYDQUAODIJ-UWJYYQICSA-N 1 1 478.575 -0.634 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001315009968 1070494425 /nfs/dbraw/zinc/49/44/25/1070494425.db2.gz NKMWIRSKNUTWSC-MSOLQXFVSA-N 1 1 463.583 -0.034 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001315009970 1070494474 /nfs/dbraw/zinc/49/44/74/1070494474.db2.gz NKMWIRSKNUTWSC-QZTJIDSGSA-N 1 1 463.583 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OANDULNDEJHLNU-SFHVURJKSA-N 1 1 477.591 -0.046 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001315064767 1070509955 /nfs/dbraw/zinc/50/99/55/1070509955.db2.gz MPHKKWIZYXDOBE-IBGZPJMESA-N 1 1 491.618 -0.081 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001315064768 1070509660 /nfs/dbraw/zinc/50/96/60/1070509660.db2.gz MPHKKWIZYXDOBE-LJQANCHMSA-N 1 1 491.618 -0.081 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315065745 1070509857 /nfs/dbraw/zinc/50/98/57/1070509857.db2.gz UHDYMGSHBRJIQI-AEFFLSMTSA-N 1 1 496.638 -0.948 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315065746 1070509979 /nfs/dbraw/zinc/50/99/79/1070509979.db2.gz UHDYMGSHBRJIQI-FUHWJXTLSA-N 1 1 496.638 -0.948 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315065747 1070509702 /nfs/dbraw/zinc/50/97/02/1070509702.db2.gz UHDYMGSHBRJIQI-SJLPKXTDSA-N 1 1 496.638 -0.948 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001315065748 1070509792 /nfs/dbraw/zinc/50/97/92/1070509792.db2.gz UHDYMGSHBRJIQI-WMZOPIPTSA-N 1 1 496.638 -0.948 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315071212 1070514090 /nfs/dbraw/zinc/51/40/90/1070514090.db2.gz XRWRGMAUEHMPGX-CRAIPNDOSA-N 1 1 479.611 -0.783 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315071214 1070514596 /nfs/dbraw/zinc/51/45/96/1070514596.db2.gz XRWRGMAUEHMPGX-MAUKXSAKSA-N 1 1 479.611 -0.783 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315071216 1070514873 /nfs/dbraw/zinc/51/48/73/1070514873.db2.gz XRWRGMAUEHMPGX-QAPCUYQASA-N 1 1 479.611 -0.783 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001315071218 1070514772 /nfs/dbraw/zinc/51/47/72/1070514772.db2.gz XRWRGMAUEHMPGX-YJBOKZPZSA-N 1 1 479.611 -0.783 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001315071621 1070514832 /nfs/dbraw/zinc/51/48/32/1070514832.db2.gz GJDCTZSTJROEJU-UHFFFAOYSA-N 1 1 490.634 -0.052 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001315071621 1070514822 /nfs/dbraw/zinc/51/48/22/1070514822.db2.gz GJDCTZSTJROEJU-UHFFFAOYSA-N 1 1 490.634 -0.052 20 0 JBADMO CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001315072863 1070514638 /nfs/dbraw/zinc/51/46/38/1070514638.db2.gz IIZYBLVSDWKXGT-UHFFFAOYSA-N 1 1 479.611 -0.605 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315072985 1070515429 /nfs/dbraw/zinc/51/54/29/1070515429.db2.gz RINDVTBTQOOYDH-FXAWDEMLSA-N 1 1 490.634 -0.198 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001315072986 1070515522 /nfs/dbraw/zinc/51/55/22/1070515522.db2.gz RINDVTBTQOOYDH-PXNSSMCTSA-N 1 1 490.634 -0.198 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315072987 1070515353 /nfs/dbraw/zinc/51/53/53/1070515353.db2.gz RINDVTBTQOOYDH-XLIONFOSSA-N 1 1 490.634 -0.198 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315072988 1070515415 /nfs/dbraw/zinc/51/54/15/1070515415.db2.gz RINDVTBTQOOYDH-YLJYHZDGSA-N 1 1 490.634 -0.198 20 0 JBADMO CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001315073042 1070515294 /nfs/dbraw/zinc/51/52/94/1070515294.db2.gz WNYJJEKEXPDIHC-INIZCTEOSA-N 1 1 466.564 -0.064 20 0 JBADMO CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001315073042 1070515282 /nfs/dbraw/zinc/51/52/82/1070515282.db2.gz WNYJJEKEXPDIHC-INIZCTEOSA-N 1 1 466.564 -0.064 20 0 JBADMO CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001315073043 1070515465 /nfs/dbraw/zinc/51/54/65/1070515465.db2.gz WNYJJEKEXPDIHC-MRXNPFEDSA-N 1 1 466.564 -0.064 20 0 JBADMO CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001315073043 1070515458 /nfs/dbraw/zinc/51/54/58/1070515458.db2.gz WNYJJEKEXPDIHC-MRXNPFEDSA-N 1 1 466.564 -0.064 20 0 JBADMO CNS(=O)(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 ZINC001315073278 1070515378 /nfs/dbraw/zinc/51/53/78/1070515378.db2.gz LYHIOVZKDQOTEC-UHFFFAOYSA-N 1 1 495.675 -0.239 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001315073514 1070515937 /nfs/dbraw/zinc/51/59/37/1070515937.db2.gz XTWJMICDYROXRW-GOSISDBHSA-N 1 1 476.607 -0.444 20 0 JBADMO CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001315073515 1070516070 /nfs/dbraw/zinc/51/60/70/1070516070.db2.gz XTWJMICDYROXRW-SFHVURJKSA-N 1 1 476.607 -0.444 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H]1O ZINC001315107196 1070517209 /nfs/dbraw/zinc/51/72/09/1070517209.db2.gz WSPQOELFEVAJNJ-KZNAEPCWSA-N 1 1 464.567 -0.157 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H]1O ZINC001315107197 1070517030 /nfs/dbraw/zinc/51/70/30/1070517030.db2.gz WSPQOELFEVAJNJ-RCCFBDPRSA-N 1 1 464.567 -0.157 20 0 JBADMO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001315117399 1070518296 /nfs/dbraw/zinc/51/82/96/1070518296.db2.gz HHNUFCLKYXECHK-HOTGVXAUSA-N 1 1 473.600 -0.113 20 0 JBADMO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001315117400 1070518091 /nfs/dbraw/zinc/51/80/91/1070518091.db2.gz HHNUFCLKYXECHK-JKSUJKDBSA-N 1 1 473.600 -0.113 20 0 JBADMO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001315120076 1070518400 /nfs/dbraw/zinc/51/84/00/1070518400.db2.gz ZKWNITQFGRQKIH-CVEARBPZSA-N 1 1 473.600 -0.377 20 0 JBADMO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001315120081 1070518354 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1070750233 /nfs/dbraw/zinc/75/02/33/1070750233.db2.gz VGXSKZWVKZARCQ-GBESFXJTSA-N 1 1 485.655 -0.233 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCN1CCOC[C@H]1C ZINC001360681851 1070750472 /nfs/dbraw/zinc/75/04/72/1070750472.db2.gz VGXSKZWVKZARCQ-QYZOEREBSA-N 1 1 485.655 -0.233 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC1(O)CCOCC1 ZINC001360682214 1070750373 /nfs/dbraw/zinc/75/03/73/1070750373.db2.gz YCGBWBLNRNYJCP-MSOLQXFVSA-N 1 1 486.639 -0.022 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC1(O)CCOCC1 ZINC001360682215 1070750318 /nfs/dbraw/zinc/75/03/18/1070750318.db2.gz YCGBWBLNRNYJCP-QZTJIDSGSA-N 1 1 486.639 -0.022 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC1(O)CCOCC1 ZINC001360682216 1070750174 /nfs/dbraw/zinc/75/01/74/1070750174.db2.gz YCGBWBLNRNYJCP-ROUUACIJSA-N 1 1 486.639 -0.022 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC1(O)CCOCC1 ZINC001360682217 1070750338 /nfs/dbraw/zinc/75/03/38/1070750338.db2.gz YCGBWBLNRNYJCP-ZWKOTPCHSA-N 1 1 486.639 -0.022 20 0 JBADMO CC(C)N1CC[NH+](C2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)CC1 ZINC001360684133 1070750948 /nfs/dbraw/zinc/75/09/48/1070750948.db2.gz KZPHHINVGARWHX-KRWDZBQOSA-N 1 1 484.671 -0.029 20 0 JBADMO CC(C)N1CC[NH+](C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)CC1 ZINC001360684134 1070750884 /nfs/dbraw/zinc/75/08/84/1070750884.db2.gz KZPHHINVGARWHX-QGZVFWFLSA-N 1 1 484.671 -0.029 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001360685153 1070752130 /nfs/dbraw/zinc/75/21/30/1070752130.db2.gz IMKLOAWIRUZKCG-FOIQADDNSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360685153 1070752127 /nfs/dbraw/zinc/75/21/27/1070752127.db2.gz IMKLOAWIRUZKCG-FOIQADDNSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001360685158 1070751996 /nfs/dbraw/zinc/75/19/96/1070751996.db2.gz IMKLOAWIRUZKCG-MGPUTAFESA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360685158 1070751984 /nfs/dbraw/zinc/75/19/84/1070751984.db2.gz IMKLOAWIRUZKCG-MGPUTAFESA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001360685162 1070752188 /nfs/dbraw/zinc/75/21/88/1070752188.db2.gz IMKLOAWIRUZKCG-QRWLVFNGSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360685162 1070752183 /nfs/dbraw/zinc/75/21/83/1070752183.db2.gz IMKLOAWIRUZKCG-QRWLVFNGSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001360685163 1070752112 /nfs/dbraw/zinc/75/21/12/1070752112.db2.gz IMKLOAWIRUZKCG-YWZLYKJASA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360685163 1070752107 /nfs/dbraw/zinc/75/21/07/1070752107.db2.gz IMKLOAWIRUZKCG-YWZLYKJASA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360685455 1070752170 /nfs/dbraw/zinc/75/21/70/1070752170.db2.gz LPWAKKINXQLCTD-GDBMZVCRSA-N 1 1 478.641 -0.642 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360685456 1070752149 /nfs/dbraw/zinc/75/21/49/1070752149.db2.gz LPWAKKINXQLCTD-GOEBONIOSA-N 1 1 478.641 -0.642 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360685457 1070752036 /nfs/dbraw/zinc/75/20/36/1070752036.db2.gz LPWAKKINXQLCTD-HOCLYGCPSA-N 1 1 478.641 -0.642 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360685458 1070752229 /nfs/dbraw/zinc/75/22/29/1070752229.db2.gz LPWAKKINXQLCTD-ZBFHGGJFSA-N 1 1 478.641 -0.642 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001360685539 1070751945 /nfs/dbraw/zinc/75/19/45/1070751945.db2.gz XGKVWLZWVRWKFR-HNNXBMFYSA-N 1 1 493.656 -0.871 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001360685540 1070752092 /nfs/dbraw/zinc/75/20/92/1070752092.db2.gz XGKVWLZWVRWKFR-OAHLLOKOSA-N 1 1 493.656 -0.871 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@H+]1CCC[C@H]1C ZINC001360686113 1070752735 /nfs/dbraw/zinc/75/27/35/1070752735.db2.gz SNNDUJVNJOSWGI-CABCVRRESA-N 1 1 482.611 -0.107 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001360686114 1070752789 /nfs/dbraw/zinc/75/27/89/1070752789.db2.gz SNNDUJVNJOSWGI-GJZGRUSLSA-N 1 1 482.611 -0.107 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@H+]1CCC[C@H]1C ZINC001360686115 1070752596 /nfs/dbraw/zinc/75/25/96/1070752596.db2.gz SNNDUJVNJOSWGI-HUUCEWRRSA-N 1 1 482.611 -0.107 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001360686116 1070752678 /nfs/dbraw/zinc/75/26/78/1070752678.db2.gz SNNDUJVNJOSWGI-LSDHHAIUSA-N 1 1 482.611 -0.107 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360692978 1070754066 /nfs/dbraw/zinc/75/40/66/1070754066.db2.gz CQKADYKEGKNZJC-HZUJVAHNSA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360692979 1070753977 /nfs/dbraw/zinc/75/39/77/1070753977.db2.gz CQKADYKEGKNZJC-LUQKVYGDSA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360692980 1070753941 /nfs/dbraw/zinc/75/39/41/1070753941.db2.gz CQKADYKEGKNZJC-WJPUGNRLSA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360692981 1070754010 /nfs/dbraw/zinc/75/40/10/1070754010.db2.gz CQKADYKEGKNZJC-XPIZARPCSA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360694090 1070754561 /nfs/dbraw/zinc/75/45/61/1070754561.db2.gz HVQRVWDMUOORON-FTRWYGJKSA-N 1 1 469.612 -0.454 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360694091 1070754728 /nfs/dbraw/zinc/75/47/28/1070754728.db2.gz HVQRVWDMUOORON-RZQQEMMASA-N 1 1 469.612 -0.454 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360694092 1070754598 /nfs/dbraw/zinc/75/45/98/1070754598.db2.gz HVQRVWDMUOORON-TWOQFEAHSA-N 1 1 469.612 -0.454 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360694093 1070754480 /nfs/dbraw/zinc/75/44/80/1070754480.db2.gz HVQRVWDMUOORON-YRNRMSPPSA-N 1 1 469.612 -0.454 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360694192 1070754636 /nfs/dbraw/zinc/75/46/36/1070754636.db2.gz MXINCEKKTBDQNG-CABCVRRESA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360694192 1070754633 /nfs/dbraw/zinc/75/46/33/1070754633.db2.gz MXINCEKKTBDQNG-CABCVRRESA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360694193 1070755411 /nfs/dbraw/zinc/75/54/11/1070755411.db2.gz MXINCEKKTBDQNG-GJZGRUSLSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360694193 1070755395 /nfs/dbraw/zinc/75/53/95/1070755395.db2.gz MXINCEKKTBDQNG-GJZGRUSLSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360694194 1070755485 /nfs/dbraw/zinc/75/54/85/1070755485.db2.gz MXINCEKKTBDQNG-HUUCEWRRSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360694194 1070755472 /nfs/dbraw/zinc/75/54/72/1070755472.db2.gz MXINCEKKTBDQNG-HUUCEWRRSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360694195 1070755214 /nfs/dbraw/zinc/75/52/14/1070755214.db2.gz MXINCEKKTBDQNG-LSDHHAIUSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360694195 1070755197 /nfs/dbraw/zinc/75/51/97/1070755197.db2.gz MXINCEKKTBDQNG-LSDHHAIUSA-N 1 1 457.601 -0.299 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001360694968 1070755149 /nfs/dbraw/zinc/75/51/49/1070755149.db2.gz RKXASRYYLWFACR-BBWFWOEESA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001360694969 1070755276 /nfs/dbraw/zinc/75/52/76/1070755276.db2.gz RKXASRYYLWFACR-GVDBMIGSSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 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AMCHWMWCPOGLTD-OPYAIIAOSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360702245 1070757874 /nfs/dbraw/zinc/75/78/74/1070757874.db2.gz AMCHWMWCPOGLTD-OPYAIIAOSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360702246 1070757975 /nfs/dbraw/zinc/75/79/75/1070757975.db2.gz AMCHWMWCPOGLTD-UEXGIBASSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360702246 1070757965 /nfs/dbraw/zinc/75/79/65/1070757965.db2.gz AMCHWMWCPOGLTD-UEXGIBASSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360702247 1070758346 /nfs/dbraw/zinc/75/83/46/1070758346.db2.gz AMCHWMWCPOGLTD-WAOWUJCRSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001360702247 1070758335 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C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001479048142 1068285014 /nfs/dbraw/zinc/28/50/14/1068285014.db2.gz LVNMXEHFQJEWGC-QFIPXVFZSA-N 1 1 458.607 -0.011 20 0 JBADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001479048142 1068285006 /nfs/dbraw/zinc/28/50/06/1068285006.db2.gz LVNMXEHFQJEWGC-QFIPXVFZSA-N 1 1 458.607 -0.011 20 0 JBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)CC1 ZINC001479284836 1068286447 /nfs/dbraw/zinc/28/64/47/1068286447.db2.gz VMGYOYGAKWNTLU-UHFFFAOYSA-N 1 1 458.563 -0.385 20 0 JBADMO Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001492684678 1070780304 /nfs/dbraw/zinc/78/03/04/1070780304.db2.gz GWZVEQBNPSJJQX-INIZCTEOSA-N 1 1 458.571 -0.172 20 0 JBADMO Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001492684678 1070780300 /nfs/dbraw/zinc/78/03/00/1070780300.db2.gz GWZVEQBNPSJJQX-INIZCTEOSA-N 1 1 458.571 -0.172 20 0 JBADMO 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Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001492711517 1070782023 /nfs/dbraw/zinc/78/20/23/1070782023.db2.gz WWDCQKFERPEZNA-OAHLLOKOSA-N 1 1 451.553 -0.144 20 0 JBADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001492723349 1070782163 /nfs/dbraw/zinc/78/21/63/1070782163.db2.gz KUMRADYNHRBDSO-UHFFFAOYSA-N 1 1 487.609 -0.052 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCNS(C)(=O)=O)n1 ZINC001492744094 1070783173 /nfs/dbraw/zinc/78/31/73/1070783173.db2.gz GSXKOVQNCQIWNU-FQEVSTJZSA-N 1 1 466.612 -0.010 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCNS(C)(=O)=O)n1 ZINC001492744095 1070783340 /nfs/dbraw/zinc/78/33/40/1070783340.db2.gz GSXKOVQNCQIWNU-HXUWFJFHSA-N 1 1 466.612 -0.010 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001492751722 1070783281 /nfs/dbraw/zinc/78/32/81/1070783281.db2.gz MJRUKLKSPLIUCX-HSZRJFAPSA-N 1 1 487.609 -0.620 20 0 JBADMO 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Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCS(=O)(=O)N(C)C)n1 ZINC001492753766 1070783905 /nfs/dbraw/zinc/78/39/05/1070783905.db2.gz IFIXHOFYLDEURL-QGZVFWFLSA-N 1 1 452.585 -0.448 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCS(=O)(=O)N(C)C)n1 ZINC001492753766 1070783902 /nfs/dbraw/zinc/78/39/02/1070783902.db2.gz IFIXHOFYLDEURL-QGZVFWFLSA-N 1 1 452.585 -0.448 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001492884757 1070784499 /nfs/dbraw/zinc/78/44/99/1070784499.db2.gz MKMZVJZDXRCZDU-GOSISDBHSA-N 1 1 460.583 -0.544 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001492884758 1070784393 /nfs/dbraw/zinc/78/43/93/1070784393.db2.gz MKMZVJZDXRCZDU-SFHVURJKSA-N 1 1 460.583 -0.544 20 0 JBADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001493184503 1068286891 /nfs/dbraw/zinc/28/68/91/1068286891.db2.gz MLFDKGAESYXVFO-FGTMMUONSA-N 1 1 499.638 -0.875 20 0 JBADMO 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1068340926 /nfs/dbraw/zinc/34/09/26/1068340926.db2.gz RIHPHOYFWCMUHD-UONOGXRCSA-N 1 1 497.544 -0.180 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001502327654 1068340866 /nfs/dbraw/zinc/34/08/66/1068340866.db2.gz RIHPHOYFWCMUHD-ZIAGYGMSSA-N 1 1 497.544 -0.180 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333296 1068340777 /nfs/dbraw/zinc/34/07/77/1068340777.db2.gz FRGVNIWSNKORIB-MSOLQXFVSA-N 1 1 485.655 -0.354 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333297 1068341252 /nfs/dbraw/zinc/34/12/52/1068341252.db2.gz FRGVNIWSNKORIB-QZTJIDSGSA-N 1 1 485.655 -0.354 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333298 1068340395 /nfs/dbraw/zinc/34/03/95/1068340395.db2.gz FRGVNIWSNKORIB-ROUUACIJSA-N 1 1 485.655 -0.354 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333299 1068340983 /nfs/dbraw/zinc/34/09/83/1068340983.db2.gz FRGVNIWSNKORIB-ZWKOTPCHSA-N 1 1 485.655 -0.354 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333470 1068340448 /nfs/dbraw/zinc/34/04/48/1068340448.db2.gz JPTIUSBLNXMETO-MSOLQXFVSA-N 1 1 484.671 -0.027 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333471 1068341034 /nfs/dbraw/zinc/34/10/34/1068341034.db2.gz JPTIUSBLNXMETO-QZTJIDSGSA-N 1 1 484.671 -0.027 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333472 1068341308 /nfs/dbraw/zinc/34/13/08/1068341308.db2.gz JPTIUSBLNXMETO-ROUUACIJSA-N 1 1 484.671 -0.027 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333473 1068340681 /nfs/dbraw/zinc/34/06/81/1068340681.db2.gz JPTIUSBLNXMETO-ZWKOTPCHSA-N 1 1 484.671 -0.027 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cnccn4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502334408 1068341680 /nfs/dbraw/zinc/34/16/80/1068341680.db2.gz HQDDZYXXZMJMRT-KRWDZBQOSA-N 1 1 463.612 -0.109 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502334409 1068342030 /nfs/dbraw/zinc/34/20/30/1068342030.db2.gz HQDDZYXXZMJMRT-QGZVFWFLSA-N 1 1 463.612 -0.109 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335206 1068341762 /nfs/dbraw/zinc/34/17/62/1068341762.db2.gz COPUDBZZZSZYPS-MOPGFXCFSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335207 1068341507 /nfs/dbraw/zinc/34/15/07/1068341507.db2.gz COPUDBZZZSZYPS-OALUTQOASA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335208 1068342209 /nfs/dbraw/zinc/34/22/09/1068342209.db2.gz COPUDBZZZSZYPS-RBUKOAKNSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335209 1068341599 /nfs/dbraw/zinc/34/15/99/1068341599.db2.gz COPUDBZZZSZYPS-RTBURBONSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502336057 1068342123 /nfs/dbraw/zinc/34/21/23/1068342123.db2.gz UYFHJQIPBHHMEB-GOSISDBHSA-N 1 1 482.655 -0.492 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502336059 1068341716 /nfs/dbraw/zinc/34/17/16/1068341716.db2.gz UYFHJQIPBHHMEB-SFHVURJKSA-N 1 1 482.655 -0.492 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001502337710 1068343250 /nfs/dbraw/zinc/34/32/50/1068343250.db2.gz MUELMCIEBZZUBL-FHWLQOOXSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001502337711 1068342774 /nfs/dbraw/zinc/34/27/74/1068342774.db2.gz MUELMCIEBZZUBL-GBESFXJTSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001502337712 1068342604 /nfs/dbraw/zinc/34/26/04/1068342604.db2.gz MUELMCIEBZZUBL-IPMKNSEASA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001502337713 1068342891 /nfs/dbraw/zinc/34/28/91/1068342891.db2.gz MUELMCIEBZZUBL-OTWHNJEPSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502338732 1068342537 /nfs/dbraw/zinc/34/25/37/1068342537.db2.gz ZIFPQFILLWUBCC-FQEVSTJZSA-N 1 1 491.685 -0.100 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502338735 1068342465 /nfs/dbraw/zinc/34/24/65/1068342465.db2.gz ZIFPQFILLWUBCC-HXUWFJFHSA-N 1 1 491.685 -0.100 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342677 1068343188 /nfs/dbraw/zinc/34/31/88/1068343188.db2.gz BYWVSHMTMLIQAE-MSOLQXFVSA-N 1 1 461.615 -0.036 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342678 1068342414 /nfs/dbraw/zinc/34/24/14/1068342414.db2.gz BYWVSHMTMLIQAE-QZTJIDSGSA-N 1 1 461.615 -0.036 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342679 1068343127 /nfs/dbraw/zinc/34/31/27/1068343127.db2.gz BYWVSHMTMLIQAE-ROUUACIJSA-N 1 1 461.615 -0.036 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342680 1068343342 /nfs/dbraw/zinc/34/33/42/1068343342.db2.gz BYWVSHMTMLIQAE-ZWKOTPCHSA-N 1 1 461.615 -0.036 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502348748 1068344476 /nfs/dbraw/zinc/34/44/76/1068344476.db2.gz BNZJXSHCMPCBSH-UHFFFAOYSA-N 1 1 484.671 -0.084 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502349199 1068343852 /nfs/dbraw/zinc/34/38/52/1068343852.db2.gz PPBYSPMZOOJBOK-MSOLQXFVSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502349200 1068343594 /nfs/dbraw/zinc/34/35/94/1068343594.db2.gz PPBYSPMZOOJBOK-QZTJIDSGSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502349201 1068344253 /nfs/dbraw/zinc/34/42/53/1068344253.db2.gz PPBYSPMZOOJBOK-ROUUACIJSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502349202 1068344497 /nfs/dbraw/zinc/34/44/97/1068344497.db2.gz PPBYSPMZOOJBOK-ZWKOTPCHSA-N 1 1 484.671 -0.027 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502352654 1068344090 /nfs/dbraw/zinc/34/40/90/1068344090.db2.gz KFPQPJSCHYBGEF-FQEVSTJZSA-N 1 1 476.626 -0.117 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502352655 1068343681 /nfs/dbraw/zinc/34/36/81/1068343681.db2.gz KFPQPJSCHYBGEF-HXUWFJFHSA-N 1 1 476.626 -0.117 20 0 JBADMO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCN(CC)CC3)CCN2C1=O ZINC001502352726 1068344033 /nfs/dbraw/zinc/34/40/33/1068344033.db2.gz MDWBOBKTTHKJEW-GOSISDBHSA-N 1 1 489.625 -0.083 20 0 JBADMO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCN(CC)CC3)CCN2C1=O ZINC001502352727 1068344341 /nfs/dbraw/zinc/34/43/41/1068344341.db2.gz MDWBOBKTTHKJEW-SFHVURJKSA-N 1 1 489.625 -0.083 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001502354299 1068344391 /nfs/dbraw/zinc/34/43/91/1068344391.db2.gz GKSNVXXPPPGYAR-MSOLQXFVSA-N 1 1 497.670 -0.528 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001502354300 1068344433 /nfs/dbraw/zinc/34/44/33/1068344433.db2.gz GKSNVXXPPPGYAR-QZTJIDSGSA-N 1 1 497.670 -0.528 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001502354301 1068343925 /nfs/dbraw/zinc/34/39/25/1068343925.db2.gz GKSNVXXPPPGYAR-ROUUACIJSA-N 1 1 497.670 -0.528 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001502354302 1068343633 /nfs/dbraw/zinc/34/36/33/1068343633.db2.gz GKSNVXXPPPGYAR-ZWKOTPCHSA-N 1 1 497.670 -0.528 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502354461 1068344150 /nfs/dbraw/zinc/34/41/50/1068344150.db2.gz JGEWWGNKXLFWIP-KRWDZBQOSA-N 1 1 484.671 -0.122 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502354464 1068343883 /nfs/dbraw/zinc/34/38/83/1068343883.db2.gz JGEWWGNKXLFWIP-QGZVFWFLSA-N 1 1 484.671 -0.122 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502354565 1068344291 /nfs/dbraw/zinc/34/42/91/1068344291.db2.gz KMTRHIMCUIBPPB-YESZJQIVSA-N 1 1 457.601 -0.523 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502354567 1068343740 /nfs/dbraw/zinc/34/37/40/1068343740.db2.gz KMTRHIMCUIBPPB-ZACQAIPSSA-N 1 1 457.601 -0.523 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502355997 1068344195 /nfs/dbraw/zinc/34/41/95/1068344195.db2.gz GCXXDIQYKNHAGY-KRWDZBQOSA-N 1 1 468.628 -0.662 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502355998 1068343978 /nfs/dbraw/zinc/34/39/78/1068343978.db2.gz GCXXDIQYKNHAGY-QGZVFWFLSA-N 1 1 468.628 -0.662 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502357143 1068343794 /nfs/dbraw/zinc/34/37/94/1068343794.db2.gz XNWPYLNDNKAZHQ-FQEVSTJZSA-N 1 1 489.669 -0.097 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502357146 1068345328 /nfs/dbraw/zinc/34/53/28/1068345328.db2.gz XNWPYLNDNKAZHQ-HXUWFJFHSA-N 1 1 489.669 -0.097 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001502359263 1068345016 /nfs/dbraw/zinc/34/50/16/1068345016.db2.gz ZSYJJGLNQWQPSD-MOPGFXCFSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001502359264 1068344949 /nfs/dbraw/zinc/34/49/49/1068344949.db2.gz ZSYJJGLNQWQPSD-RTBURBONSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502360606 1068344748 /nfs/dbraw/zinc/34/47/48/1068344748.db2.gz OVNCVGMGEMVBFT-FQEVSTJZSA-N 1 1 476.626 -0.231 20 0 JBADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502360607 1068345156 /nfs/dbraw/zinc/34/51/56/1068345156.db2.gz OVNCVGMGEMVBFT-HXUWFJFHSA-N 1 1 476.626 -0.231 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001502420810 1068346379 /nfs/dbraw/zinc/34/63/79/1068346379.db2.gz DGHWNZQFPPARIB-GOSISDBHSA-N 1 1 464.615 -0.357 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001502420811 1068346204 /nfs/dbraw/zinc/34/62/04/1068346204.db2.gz DGHWNZQFPPARIB-SFHVURJKSA-N 1 1 464.615 -0.357 20 0 JBADMO 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20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(C)(=O)=O)CC1 ZINC001503683115 1068411214 /nfs/dbraw/zinc/41/12/14/1068411214.db2.gz TYSGUKXAMRFQPF-INIZCTEOSA-N 1 1 490.590 -0.287 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(C)(=O)=O)CC1 ZINC001503683116 1068411172 /nfs/dbraw/zinc/41/11/72/1068411172.db2.gz TYSGUKXAMRFQPF-MRXNPFEDSA-N 1 1 490.590 -0.287 20 0 JBADMO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCC2)CC1=O ZINC001503684217 1068410875 /nfs/dbraw/zinc/41/08/75/1068410875.db2.gz FPDFDRDLYQDIGC-KRWDZBQOSA-N 1 1 469.612 -0.236 20 0 JBADMO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCC2)CC1=O ZINC001503684218 1068411204 /nfs/dbraw/zinc/41/12/04/1068411204.db2.gz FPDFDRDLYQDIGC-QGZVFWFLSA-N 1 1 469.612 -0.236 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1(C)C ZINC001503685193 1068410986 /nfs/dbraw/zinc/41/09/86/1068410986.db2.gz PSZPZABAZNWMQW-INIZCTEOSA-N 1 1 458.654 -0.225 20 0 JBADMO 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20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001503821457 1068436077 /nfs/dbraw/zinc/43/60/77/1068436077.db2.gz GWXGMUNUCHTSRA-HUUCEWRRSA-N 1 1 454.601 -0.166 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001503821458 1068436275 /nfs/dbraw/zinc/43/62/75/1068436275.db2.gz GWXGMUNUCHTSRA-LSDHHAIUSA-N 1 1 454.601 -0.166 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503821843 1068436195 /nfs/dbraw/zinc/43/61/95/1068436195.db2.gz IXWDLHUHUNDQDB-DLBZAZTESA-N 1 1 486.643 -0.294 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503821844 1068436213 /nfs/dbraw/zinc/43/62/13/1068436213.db2.gz IXWDLHUHUNDQDB-IAGOWNOFSA-N 1 1 486.643 -0.294 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503821845 1068436062 /nfs/dbraw/zinc/43/60/62/1068436062.db2.gz IXWDLHUHUNDQDB-IRXDYDNUSA-N 1 1 486.643 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JBADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001503830123 1068439243 /nfs/dbraw/zinc/43/92/43/1068439243.db2.gz MPUKLWCMXSIBEY-HOTGVXAUSA-N 1 1 478.579 -0.369 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001503830126 1068439345 /nfs/dbraw/zinc/43/93/45/1068439345.db2.gz MPUKLWCMXSIBEY-HZPDHXFCSA-N 1 1 478.579 -0.369 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001503830128 1068439315 /nfs/dbraw/zinc/43/93/15/1068439315.db2.gz MPUKLWCMXSIBEY-JKSUJKDBSA-N 1 1 478.579 -0.369 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001503830608 1068439293 /nfs/dbraw/zinc/43/92/93/1068439293.db2.gz OOCOHOOYWLFJQM-INIZCTEOSA-N 1 1 469.612 -0.247 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503834714 1068440885 /nfs/dbraw/zinc/44/08/85/1068440885.db2.gz DFUPCBKPYZJZDB-DLBZAZTESA-N 1 1 469.612 -0.188 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503834715 1068440799 /nfs/dbraw/zinc/44/07/99/1068440799.db2.gz DFUPCBKPYZJZDB-IAGOWNOFSA-N 1 1 469.612 -0.188 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503834716 1068440769 /nfs/dbraw/zinc/44/07/69/1068440769.db2.gz DFUPCBKPYZJZDB-IRXDYDNUSA-N 1 1 469.612 -0.188 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503834717 1068440812 /nfs/dbraw/zinc/44/08/12/1068440812.db2.gz DFUPCBKPYZJZDB-SJORKVTESA-N 1 1 469.612 -0.188 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503835050 1068441673 /nfs/dbraw/zinc/44/16/73/1068441673.db2.gz CYOJCZHASLKZBW-GOSISDBHSA-N 1 1 476.607 -0.059 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503835051 1068441857 /nfs/dbraw/zinc/44/18/57/1068441857.db2.gz CYOJCZHASLKZBW-SFHVURJKSA-N 1 1 476.607 -0.059 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001503835148 1068441829 /nfs/dbraw/zinc/44/18/29/1068441829.db2.gz IAAVLSPZCVUWFJ-MSOLQXFVSA-N 1 1 477.591 -0.366 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001503835153 1068441629 /nfs/dbraw/zinc/44/16/29/1068441629.db2.gz IAAVLSPZCVUWFJ-QZTJIDSGSA-N 1 1 477.591 -0.366 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001503835156 1068441888 /nfs/dbraw/zinc/44/18/88/1068441888.db2.gz IAAVLSPZCVUWFJ-ROUUACIJSA-N 1 1 477.591 -0.366 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001503835159 1068441612 /nfs/dbraw/zinc/44/16/12/1068441612.db2.gz IAAVLSPZCVUWFJ-ZWKOTPCHSA-N 1 1 477.591 -0.366 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001503835688 1068442519 /nfs/dbraw/zinc/44/25/19/1068442519.db2.gz LGHLPOWNDCUSOX-UHFFFAOYSA-N 1 1 476.563 -0.089 20 0 JBADMO 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JBADMO COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001504857937 1068482954 /nfs/dbraw/zinc/48/29/54/1068482954.db2.gz RYMSNKPXRGZZEZ-MRXNPFEDSA-N 1 1 492.668 -0.381 20 0 JBADMO COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001504857937 1068482943 /nfs/dbraw/zinc/48/29/43/1068482943.db2.gz RYMSNKPXRGZZEZ-MRXNPFEDSA-N 1 1 492.668 -0.381 20 0 JBADMO COCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001504858074 1068483830 /nfs/dbraw/zinc/48/38/30/1068483830.db2.gz UCEWFCDPSQSALD-UHFFFAOYSA-N 1 1 479.626 -0.048 20 0 JBADMO COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504858804 1068483760 /nfs/dbraw/zinc/48/37/60/1068483760.db2.gz JVUJNUODYBCHGQ-UHFFFAOYSA-N 1 1 457.601 -0.550 20 0 JBADMO COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001504893594 1068484302 /nfs/dbraw/zinc/48/43/02/1068484302.db2.gz HKTYXNQPMKTLIF-DLBZAZTESA-N 1 1 458.585 -0.442 20 0 JBADMO 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LZWHTHOIGXIHJQ-QGZVFWFLSA-N 1 1 498.654 -0.451 20 0 JBADMO CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001508376719 1068559758 /nfs/dbraw/zinc/55/97/58/1068559758.db2.gz LZWHTHOIGXIHJQ-QGZVFWFLSA-N 1 1 498.654 -0.451 20 0 JBADMO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508391894 1068561671 /nfs/dbraw/zinc/56/16/71/1068561671.db2.gz IOHMAGVXNXEPAQ-AYOQOUSVSA-N 1 1 460.583 -0.256 20 0 JBADMO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508391895 1068561881 /nfs/dbraw/zinc/56/18/81/1068561881.db2.gz IOHMAGVXNXEPAQ-MNEFBYGVSA-N 1 1 460.583 -0.256 20 0 JBADMO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001508391896 1068561943 /nfs/dbraw/zinc/56/19/43/1068561943.db2.gz IOHMAGVXNXEPAQ-SNRMKQJTSA-N 1 1 460.583 -0.256 20 0 JBADMO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508391897 1068561715 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VJSFJLWMUUHEDS-ARFHVFGLSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001510175233 1068603452 /nfs/dbraw/zinc/60/34/52/1068603452.db2.gz VJSFJLWMUUHEDS-HRCADAONSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001510175233 1068603441 /nfs/dbraw/zinc/60/34/41/1068603441.db2.gz VJSFJLWMUUHEDS-HRCADAONSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001510175237 1068603615 /nfs/dbraw/zinc/60/36/15/1068603615.db2.gz VJSFJLWMUUHEDS-JYJNAYRXSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001510175237 1068603611 /nfs/dbraw/zinc/60/36/11/1068603611.db2.gz VJSFJLWMUUHEDS-JYJNAYRXSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001510175241 1068603666 /nfs/dbraw/zinc/60/36/66/1068603666.db2.gz VJSFJLWMUUHEDS-XHSDSOJGSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001510175241 1068603660 /nfs/dbraw/zinc/60/36/60/1068603660.db2.gz VJSFJLWMUUHEDS-XHSDSOJGSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001510181565 1068605034 /nfs/dbraw/zinc/60/50/34/1068605034.db2.gz TYBUYWDUSXIPIC-BEFAXECRSA-N 1 1 457.601 -0.332 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001510181570 1068605098 /nfs/dbraw/zinc/60/50/98/1068605098.db2.gz TYBUYWDUSXIPIC-DNVCBOLYSA-N 1 1 457.601 -0.332 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001510181576 1068605027 /nfs/dbraw/zinc/60/50/27/1068605027.db2.gz TYBUYWDUSXIPIC-HNAYVOBHSA-N 1 1 457.601 -0.332 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001510181582 1068604968 /nfs/dbraw/zinc/60/49/68/1068604968.db2.gz TYBUYWDUSXIPIC-KXBFYZLASA-N 1 1 457.601 -0.332 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001510183094 1068604916 /nfs/dbraw/zinc/60/49/16/1068604916.db2.gz IHPDDFKWVBHDPZ-GOSISDBHSA-N 1 1 486.687 -0.317 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001510183095 1068605047 /nfs/dbraw/zinc/60/50/47/1068605047.db2.gz IHPDDFKWVBHDPZ-SFHVURJKSA-N 1 1 486.687 -0.317 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001510183365 1068605085 /nfs/dbraw/zinc/60/50/85/1068605085.db2.gz VNLMZCFMSNXPKL-ACJLOTCBSA-N 1 1 479.554 -0.429 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001510183373 1068604936 /nfs/dbraw/zinc/60/49/36/1068604936.db2.gz VNLMZCFMSNXPKL-FZKQIMNGSA-N 1 1 479.554 -0.429 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001510183374 1068604954 /nfs/dbraw/zinc/60/49/54/1068604954.db2.gz VNLMZCFMSNXPKL-SCLBCKFNSA-N 1 1 479.554 -0.429 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001510183376 1068605091 /nfs/dbraw/zinc/60/50/91/1068605091.db2.gz VNLMZCFMSNXPKL-UGSOOPFHSA-N 1 1 479.554 -0.429 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001510186252 1068605713 /nfs/dbraw/zinc/60/57/13/1068605713.db2.gz UJZBJJJRJSBUNA-CABCVRRESA-N 1 1 479.673 -0.006 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001510186253 1068605648 /nfs/dbraw/zinc/60/56/48/1068605648.db2.gz UJZBJJJRJSBUNA-GJZGRUSLSA-N 1 1 479.673 -0.006 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001510186255 1068605725 /nfs/dbraw/zinc/60/57/25/1068605725.db2.gz UJZBJJJRJSBUNA-HUUCEWRRSA-N 1 1 479.673 -0.006 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001510186257 1068605671 /nfs/dbraw/zinc/60/56/71/1068605671.db2.gz UJZBJJJRJSBUNA-LSDHHAIUSA-N 1 1 479.673 -0.006 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1COCCO1 ZINC001510186455 1068605639 /nfs/dbraw/zinc/60/56/39/1068605639.db2.gz UXAMXCVIAFDVCK-CVEARBPZSA-N 1 1 460.601 -0.149 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1COCCO1 ZINC001510186455 1068605632 /nfs/dbraw/zinc/60/56/32/1068605632.db2.gz UXAMXCVIAFDVCK-CVEARBPZSA-N 1 1 460.601 -0.149 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1COCCO1 ZINC001510186460 1068605613 /nfs/dbraw/zinc/60/56/13/1068605613.db2.gz UXAMXCVIAFDVCK-HOTGVXAUSA-N 1 1 460.601 -0.149 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1COCCO1 ZINC001510186460 1068605609 /nfs/dbraw/zinc/60/56/09/1068605609.db2.gz UXAMXCVIAFDVCK-HOTGVXAUSA-N 1 1 460.601 -0.149 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001510190315 1068606999 /nfs/dbraw/zinc/60/69/99/1068606999.db2.gz WNVKVGKXSKJNDA-FTRWYGJKSA-N 1 1 466.612 -0.243 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001510190319 1068607042 /nfs/dbraw/zinc/60/70/42/1068607042.db2.gz WNVKVGKXSKJNDA-RZQQEMMASA-N 1 1 466.612 -0.243 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001510190324 1068606972 /nfs/dbraw/zinc/60/69/72/1068606972.db2.gz WNVKVGKXSKJNDA-TWOQFEAHSA-N 1 1 466.612 -0.243 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001510190328 1068607029 /nfs/dbraw/zinc/60/70/29/1068607029.db2.gz WNVKVGKXSKJNDA-YRNRMSPPSA-N 1 1 466.612 -0.243 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001510192513 1068607491 /nfs/dbraw/zinc/60/74/91/1068607491.db2.gz KSQBVIAXEQSODS-KRWDZBQOSA-N 1 1 498.654 -0.005 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001510192516 1068607637 /nfs/dbraw/zinc/60/76/37/1068607637.db2.gz KSQBVIAXEQSODS-QGZVFWFLSA-N 1 1 498.654 -0.005 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001510195666 1068608209 /nfs/dbraw/zinc/60/82/09/1068608209.db2.gz RJAKZZKXZQPSNX-CSODHUTKSA-N 1 1 483.639 -0.039 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001510195672 1068608187 /nfs/dbraw/zinc/60/81/87/1068608187.db2.gz RJAKZZKXZQPSNX-FIKGOQFSSA-N 1 1 483.639 -0.039 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001510195677 1068608111 /nfs/dbraw/zinc/60/81/11/1068608111.db2.gz RJAKZZKXZQPSNX-FVJLSDCUSA-N 1 1 483.639 -0.039 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001510195682 1068608677 /nfs/dbraw/zinc/60/86/77/1068608677.db2.gz RJAKZZKXZQPSNX-XGHQBKJUSA-N 1 1 483.639 -0.039 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCC(=O)N1 ZINC001510196553 1068608606 /nfs/dbraw/zinc/60/86/06/1068608606.db2.gz XIUJLSYONVKHAK-ARFHVFGLSA-N 1 1 455.585 -0.675 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCC(=O)N1 ZINC001510196558 1068608720 /nfs/dbraw/zinc/60/87/20/1068608720.db2.gz XIUJLSYONVKHAK-BZUAXINKSA-N 1 1 455.585 -0.675 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCC(=O)N1 ZINC001510196561 1068608620 /nfs/dbraw/zinc/60/86/20/1068608620.db2.gz XIUJLSYONVKHAK-HRCADAONSA-N 1 1 455.585 -0.675 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCC(=O)N1 ZINC001510196565 1068608663 /nfs/dbraw/zinc/60/86/63/1068608663.db2.gz XIUJLSYONVKHAK-OWCLPIDISA-N 1 1 455.585 -0.675 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001510205025 1068611635 /nfs/dbraw/zinc/61/16/35/1068611635.db2.gz QVORHVBVJIDXQU-AWEZNQCLSA-N 1 1 470.600 -0.251 20 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MAWBKZXTXQCJEM-UHFFFAOYSA-N 1 1 469.612 -0.407 20 0 JBADMO CC1(C)C[N@H+](CCn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 ZINC001510339972 1068632184 /nfs/dbraw/zinc/63/21/84/1068632184.db2.gz MAWBKZXTXQCJEM-UHFFFAOYSA-N 1 1 469.612 -0.407 20 0 JBADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(CN3CCCC3=O)n2CCNS(C)(=O)=O)C1 ZINC001510354906 1068632560 /nfs/dbraw/zinc/63/25/60/1068632560.db2.gz FIFLOHIXFHUHFK-IBGZPJMESA-N 1 1 455.585 -0.749 20 0 JBADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(CN3CCCC3=O)n2CCNS(C)(=O)=O)C1 ZINC001510354908 1068632658 /nfs/dbraw/zinc/63/26/58/1068632658.db2.gz FIFLOHIXFHUHFK-LJQANCHMSA-N 1 1 455.585 -0.749 20 0 JBADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(-c3cnccn3)n2CCCNS(C)(=O)=O)C1 ZINC001510355174 1068632476 /nfs/dbraw/zinc/63/24/76/1068632476.db2.gz FZYNBUULWGGLSR-IBGZPJMESA-N 1 1 450.569 -0.025 20 0 JBADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(-c3cnccn3)n2CCCNS(C)(=O)=O)C1 ZINC001510355178 1068632591 /nfs/dbraw/zinc/63/25/91/1068632591.db2.gz FZYNBUULWGGLSR-LJQANCHMSA-N 1 1 450.569 -0.025 20 0 JBADMO Cc1nc(Cc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC001511540944 1068637260 /nfs/dbraw/zinc/63/72/60/1068637260.db2.gz LLVBCXHNUMHPFH-JOCHJYFZSA-N 1 1 490.634 -0.126 20 0 JBADMO Cc1nc(Cc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC001511540948 1068637425 /nfs/dbraw/zinc/63/74/25/1068637425.db2.gz LLVBCXHNUMHPFH-QFIPXVFZSA-N 1 1 490.634 -0.126 20 0 JBADMO Cc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001511574636 1068638272 /nfs/dbraw/zinc/63/82/72/1068638272.db2.gz JWBSSBDZPUSNJX-GOSISDBHSA-N 1 1 466.612 -0.014 20 0 JBADMO Cc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001511574640 1068638403 /nfs/dbraw/zinc/63/84/03/1068638403.db2.gz JWBSSBDZPUSNJX-SFHVURJKSA-N 1 1 466.612 -0.014 20 0 JBADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001511606288 1068638429 /nfs/dbraw/zinc/63/84/29/1068638429.db2.gz RELOVZHWNVXRLH-INIZCTEOSA-N 1 1 457.539 -0.451 20 0 JBADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001511606289 1068638344 /nfs/dbraw/zinc/63/83/44/1068638344.db2.gz RELOVZHWNVXRLH-MRXNPFEDSA-N 1 1 457.539 -0.451 20 0 JBADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001511609365 1068638296 /nfs/dbraw/zinc/63/82/96/1068638296.db2.gz MBXGYMRAWXNJMK-INIZCTEOSA-N 1 1 466.568 -0.467 20 0 JBADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001511609377 1068638364 /nfs/dbraw/zinc/63/83/64/1068638364.db2.gz MBXGYMRAWXNJMK-MRXNPFEDSA-N 1 1 466.568 -0.467 20 0 JBADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511609626 1068638351 /nfs/dbraw/zinc/63/83/51/1068638351.db2.gz FVCPUUSHDICZSB-GOSISDBHSA-N 1 1 478.623 -0.014 20 0 JBADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511609641 1068638311 /nfs/dbraw/zinc/63/83/11/1068638311.db2.gz FVCPUUSHDICZSB-SFHVURJKSA-N 1 1 478.623 -0.014 20 0 JBADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001511613923 1068638793 /nfs/dbraw/zinc/63/87/93/1068638793.db2.gz JJCJGNKKQYELBU-UHFFFAOYSA-N 1 1 473.582 -0.398 20 0 JBADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001511617669 1068638865 /nfs/dbraw/zinc/63/88/65/1068638865.db2.gz XHZZKXZSNFBKLX-UHFFFAOYSA-N 1 1 487.565 -0.871 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001511617793 1068638884 /nfs/dbraw/zinc/63/88/84/1068638884.db2.gz XUIPVXXJOWFOIG-AWEZNQCLSA-N 1 1 488.640 -0.046 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001511617808 1068638930 /nfs/dbraw/zinc/63/89/30/1068638930.db2.gz XUIPVXXJOWFOIG-CQSZACIVSA-N 1 1 488.640 -0.046 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511621756 1068639061 /nfs/dbraw/zinc/63/90/61/1068639061.db2.gz GNQQPCMXQOUGMI-KRWDZBQOSA-N 1 1 464.596 -0.404 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511621764 1068639038 /nfs/dbraw/zinc/63/90/38/1068639038.db2.gz GNQQPCMXQOUGMI-QGZVFWFLSA-N 1 1 464.596 -0.404 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001511624820 1068639053 /nfs/dbraw/zinc/63/90/53/1068639053.db2.gz SUGDBBNPKBHZKC-GOEBONIOSA-N 1 1 471.609 -0.145 20 0 JBADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001511624847 1068638974 /nfs/dbraw/zinc/63/89/74/1068638974.db2.gz SUGDBBNPKBHZKC-HOCLYGCPSA-N 1 1 471.609 -0.145 20 0 JBADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001511646795 1068639715 /nfs/dbraw/zinc/63/97/15/1068639715.db2.gz RXRAVYMCUYZNKT-DOTOQJQBSA-N 1 1 493.638 -0.161 20 0 JBADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001511646811 1068639639 /nfs/dbraw/zinc/63/96/39/1068639639.db2.gz RXRAVYMCUYZNKT-NVXWUHKLSA-N 1 1 493.638 -0.161 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001511877850 1068641487 /nfs/dbraw/zinc/64/14/87/1068641487.db2.gz KATCVSHNEUQQKY-IBGZPJMESA-N 1 1 463.583 -0.669 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001511877851 1068641704 /nfs/dbraw/zinc/64/17/04/1068641704.db2.gz KATCVSHNEUQQKY-LJQANCHMSA-N 1 1 463.583 -0.669 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001511877923 1068641608 /nfs/dbraw/zinc/64/16/08/1068641608.db2.gz LLMUCTMJWUEZQB-IBGZPJMESA-N 1 1 490.609 -0.963 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001511877972 1068641521 /nfs/dbraw/zinc/64/15/21/1068641521.db2.gz LLMUCTMJWUEZQB-LJQANCHMSA-N 1 1 490.609 -0.963 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001511879225 1068641646 /nfs/dbraw/zinc/64/16/46/1068641646.db2.gz XXRKABHBLFBQLD-GOSISDBHSA-N 1 1 462.599 -0.298 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001511879253 1068642192 /nfs/dbraw/zinc/64/21/92/1068642192.db2.gz XXRKABHBLFBQLD-SFHVURJKSA-N 1 1 462.599 -0.298 20 0 JBADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001511967319 1068642827 /nfs/dbraw/zinc/64/28/27/1068642827.db2.gz AIZLRHCFEOUREQ-BRWVUGGUSA-N 1 1 460.583 -0.161 20 0 JBADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001511967320 1068642940 /nfs/dbraw/zinc/64/29/40/1068642940.db2.gz AIZLRHCFEOUREQ-IKGGRYGDSA-N 1 1 460.583 -0.161 20 0 JBADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001511967321 1068642847 /nfs/dbraw/zinc/64/28/47/1068642847.db2.gz AIZLRHCFEOUREQ-IXDOHACOSA-N 1 1 460.583 -0.161 20 0 JBADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001511967322 1068642885 /nfs/dbraw/zinc/64/28/85/1068642885.db2.gz AIZLRHCFEOUREQ-ZACQAIPSSA-N 1 1 460.583 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ALMNLFBPNQAIBU-CVEARBPZSA-N 1 1 460.626 -0.336 20 0 JBADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001512248250 1068645830 /nfs/dbraw/zinc/64/58/30/1068645830.db2.gz ALMNLFBPNQAIBU-HOTGVXAUSA-N 1 1 460.626 -0.336 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001512248252 1068645888 /nfs/dbraw/zinc/64/58/88/1068645888.db2.gz ALMNLFBPNQAIBU-HZPDHXFCSA-N 1 1 460.626 -0.336 20 0 JBADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001512248254 1068645507 /nfs/dbraw/zinc/64/55/07/1068645507.db2.gz ALMNLFBPNQAIBU-JKSUJKDBSA-N 1 1 460.626 -0.336 20 0 JBADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCS(C)(=O)=O ZINC001512248921 1068645947 /nfs/dbraw/zinc/64/59/47/1068645947.db2.gz DJOINDJGTLQYAF-DLBZAZTESA-N 1 1 492.668 -0.034 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCS(C)(=O)=O ZINC001512248924 1068645573 /nfs/dbraw/zinc/64/55/73/1068645573.db2.gz DJOINDJGTLQYAF-IAGOWNOFSA-N 1 1 492.668 -0.034 20 0 JBADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCS(C)(=O)=O ZINC001512248927 1068645778 /nfs/dbraw/zinc/64/57/78/1068645778.db2.gz DJOINDJGTLQYAF-IRXDYDNUSA-N 1 1 492.668 -0.034 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCS(C)(=O)=O ZINC001512248931 1068645872 /nfs/dbraw/zinc/64/58/72/1068645872.db2.gz DJOINDJGTLQYAF-SJORKVTESA-N 1 1 492.668 -0.034 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001512249661 1068645920 /nfs/dbraw/zinc/64/59/20/1068645920.db2.gz FQRSLIXVCSPDNY-MSOLQXFVSA-N 1 1 499.638 -0.610 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001512249665 1068645910 /nfs/dbraw/zinc/64/59/10/1068645910.db2.gz FQRSLIXVCSPDNY-QZTJIDSGSA-N 1 1 499.638 -0.610 20 0 JBADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001512249667 1068645807 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ZINC001512255766 1068646350 /nfs/dbraw/zinc/64/63/50/1068646350.db2.gz RZCYPXZCBLJFSS-PMPSAXMXSA-N 1 1 455.585 -0.593 20 0 JBADMO CC1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001512351381 1068646442 /nfs/dbraw/zinc/64/64/42/1068646442.db2.gz VYUGHPUKRAQQMK-KRWDZBQOSA-N 1 1 492.668 -0.176 20 0 JBADMO CC1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001512351382 1068646503 /nfs/dbraw/zinc/64/65/03/1068646503.db2.gz VYUGHPUKRAQQMK-QGZVFWFLSA-N 1 1 492.668 -0.176 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001512363702 1068647718 /nfs/dbraw/zinc/64/77/18/1068647718.db2.gz WJZJQJYBIGAQED-DLBZAZTESA-N 1 1 467.596 -0.460 20 0 JBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001512363703 1068647785 /nfs/dbraw/zinc/64/77/85/1068647785.db2.gz WJZJQJYBIGAQED-IAGOWNOFSA-N 1 1 467.596 -0.460 20 0 JBADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 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ZINC001512468507 1068650245 /nfs/dbraw/zinc/65/02/45/1068650245.db2.gz ITMYYGTYRUKARS-JEWRLFTDSA-N 1 1 458.585 -0.709 20 0 JBADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC001512468512 1068650311 /nfs/dbraw/zinc/65/03/11/1068650311.db2.gz ITMYYGTYRUKARS-OAFZBRQQSA-N 1 1 458.585 -0.709 20 0 JBADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001512496548 1068651719 /nfs/dbraw/zinc/65/17/19/1068651719.db2.gz CBHIPXYYONMPTH-CABCVRRESA-N 1 1 455.510 -0.061 20 0 JBADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001512496556 1068651636 /nfs/dbraw/zinc/65/16/36/1068651636.db2.gz CBHIPXYYONMPTH-GJZGRUSLSA-N 1 1 455.510 -0.061 20 0 JBADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001512496563 1068651753 /nfs/dbraw/zinc/65/17/53/1068651753.db2.gz CBHIPXYYONMPTH-HUUCEWRRSA-N 1 1 455.510 -0.061 20 0 JBADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001512496572 1068651593 /nfs/dbraw/zinc/65/15/93/1068651593.db2.gz CBHIPXYYONMPTH-LSDHHAIUSA-N 1 1 455.510 -0.061 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001512517767 1068651657 /nfs/dbraw/zinc/65/16/57/1068651657.db2.gz FLPAHHWFPLEIHE-CVEARBPZSA-N 1 1 462.642 -0.042 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001512517777 1068651775 /nfs/dbraw/zinc/65/17/75/1068651775.db2.gz FLPAHHWFPLEIHE-HOTGVXAUSA-N 1 1 462.642 -0.042 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001512517788 1068652538 /nfs/dbraw/zinc/65/25/38/1068652538.db2.gz FLPAHHWFPLEIHE-HZPDHXFCSA-N 1 1 462.642 -0.042 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001512517797 1068652350 /nfs/dbraw/zinc/65/23/50/1068652350.db2.gz FLPAHHWFPLEIHE-JKSUJKDBSA-N 1 1 462.642 -0.042 20 0 JBADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)CCCO1 ZINC001512524320 1068652457 /nfs/dbraw/zinc/65/24/57/1068652457.db2.gz LFSRFXYMBRLOQQ-MOPGFXCFSA-N 1 1 498.650 -0.024 20 0 JBADMO C[C@H]1C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)CCCO1 ZINC001512524321 1068652293 /nfs/dbraw/zinc/65/22/93/1068652293.db2.gz LFSRFXYMBRLOQQ-OALUTQOASA-N 1 1 498.650 -0.024 20 0 JBADMO C[C@H]1C[N@@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)CCCO1 ZINC001512524322 1068652385 /nfs/dbraw/zinc/65/23/85/1068652385.db2.gz LFSRFXYMBRLOQQ-RBUKOAKNSA-N 1 1 498.650 -0.024 20 0 JBADMO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)CCCO1 ZINC001512524323 1068652487 /nfs/dbraw/zinc/65/24/87/1068652487.db2.gz LFSRFXYMBRLOQQ-RTBURBONSA-N 1 1 498.650 -0.024 20 0 JBADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001512527094 1068652412 /nfs/dbraw/zinc/65/24/12/1068652412.db2.gz WRZAVVIIAREMMK-FGTMMUONSA-N 1 1 472.612 -0.053 20 0 JBADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001512527095 1068652502 /nfs/dbraw/zinc/65/25/02/1068652502.db2.gz WRZAVVIIAREMMK-KSZLIROESA-N 1 1 472.612 -0.053 20 0 JBADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001512527901 1068652469 /nfs/dbraw/zinc/65/24/69/1068652469.db2.gz HHJSDIWSEBIYNR-ILXRZTDVSA-N 1 1 491.565 -0.335 20 0 JBADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001512527903 1068652338 /nfs/dbraw/zinc/65/23/38/1068652338.db2.gz HHJSDIWSEBIYNR-KFWWJZLASA-N 1 1 491.565 -0.335 20 0 JBADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001512527905 1068652518 /nfs/dbraw/zinc/65/25/18/1068652518.db2.gz HHJSDIWSEBIYNR-QLFBSQMISA-N 1 1 491.565 -0.335 20 0 JBADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001512527907 1068652262 /nfs/dbraw/zinc/65/22/62/1068652262.db2.gz HHJSDIWSEBIYNR-RBSFLKMASA-N 1 1 491.565 -0.335 20 0 JBADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001512558590 1068653935 /nfs/dbraw/zinc/65/39/35/1068653935.db2.gz YSOSGTBAGFRGNJ-INIZCTEOSA-N 1 1 452.585 -0.129 20 0 JBADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001512558590 1068653931 /nfs/dbraw/zinc/65/39/31/1068653931.db2.gz YSOSGTBAGFRGNJ-INIZCTEOSA-N 1 1 452.585 -0.129 20 0 JBADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001512558592 1068653813 /nfs/dbraw/zinc/65/38/13/1068653813.db2.gz YSOSGTBAGFRGNJ-MRXNPFEDSA-N 1 1 452.585 -0.129 20 0 JBADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001512558592 1068653805 /nfs/dbraw/zinc/65/38/05/1068653805.db2.gz YSOSGTBAGFRGNJ-MRXNPFEDSA-N 1 1 452.585 -0.129 20 0 JBADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001512612258 1068655752 /nfs/dbraw/zinc/65/57/52/1068655752.db2.gz FBCJYEFTIPYUFO-CBGDNZLLSA-N 1 1 499.638 -0.827 20 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1 1 465.599 -0.123 20 0 JBADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001513001484 1068658447 /nfs/dbraw/zinc/65/84/47/1068658447.db2.gz YAQCCSPQAGXOOX-HTAPYJJXSA-N 1 1 463.583 -0.634 20 0 JBADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001513001494 1068658480 /nfs/dbraw/zinc/65/84/80/1068658480.db2.gz YAQCCSPQAGXOOX-JTSKRJEESA-N 1 1 463.583 -0.634 20 0 JBADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001513001500 1068658464 /nfs/dbraw/zinc/65/84/64/1068658464.db2.gz YAQCCSPQAGXOOX-VGOFRKELSA-N 1 1 463.583 -0.634 20 0 JBADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001513001506 1068658367 /nfs/dbraw/zinc/65/83/67/1068658367.db2.gz YAQCCSPQAGXOOX-VGSWGCGISA-N 1 1 463.583 -0.634 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001513149001 1068659150 /nfs/dbraw/zinc/65/91/50/1068659150.db2.gz DWUHZUKXLMFXOP-MWDXBVQZSA-N 1 1 458.585 -0.097 20 0 JBADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001513149002 1068659114 /nfs/dbraw/zinc/65/91/14/1068659114.db2.gz DWUHZUKXLMFXOP-NCOADZHNSA-N 1 1 458.585 -0.097 20 0 JBADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001513149003 1068659014 /nfs/dbraw/zinc/65/90/14/1068659014.db2.gz DWUHZUKXLMFXOP-NXOAAHMSSA-N 1 1 458.585 -0.097 20 0 JBADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001513149004 1068658989 /nfs/dbraw/zinc/65/89/89/1068658989.db2.gz DWUHZUKXLMFXOP-WCXIOVBPSA-N 1 1 458.585 -0.097 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001513199074 1068660212 /nfs/dbraw/zinc/66/02/12/1068660212.db2.gz KNZOFAZGEIYEOL-GSHUGGBRSA-N 1 1 462.599 -0.668 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001513199075 1068660256 /nfs/dbraw/zinc/66/02/56/1068660256.db2.gz KNZOFAZGEIYEOL-HOIFWPIMSA-N 1 1 462.599 -0.668 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001513199077 1068660246 /nfs/dbraw/zinc/66/02/46/1068660246.db2.gz KNZOFAZGEIYEOL-JKSBSHDWSA-N 1 1 462.599 -0.668 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001513199080 1068660232 /nfs/dbraw/zinc/66/02/32/1068660232.db2.gz KNZOFAZGEIYEOL-PNLZDCPESA-N 1 1 462.599 -0.668 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCNS(C)(=O)=O ZINC001513394042 1068662220 /nfs/dbraw/zinc/66/22/20/1068662220.db2.gz DUMAVABWLOHXFA-KRWDZBQOSA-N 1 1 498.654 -0.512 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCNS(C)(=O)=O ZINC001513394061 1068662138 /nfs/dbraw/zinc/66/21/38/1068662138.db2.gz DUMAVABWLOHXFA-QGZVFWFLSA-N 1 1 498.654 -0.512 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001513402027 1068662184 /nfs/dbraw/zinc/66/21/84/1068662184.db2.gz FNOWFOYGOAWXAH-JOCHJYFZSA-N 1 1 464.615 -0.527 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001513402028 1068662162 /nfs/dbraw/zinc/66/21/62/1068662162.db2.gz FNOWFOYGOAWXAH-QFIPXVFZSA-N 1 1 464.615 -0.527 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001513402150 1068662202 /nfs/dbraw/zinc/66/22/02/1068662202.db2.gz ILTZSZFBSHVFKB-HSZRJFAPSA-N 1 1 476.626 -0.336 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001513402151 1068662098 /nfs/dbraw/zinc/66/20/98/1068662098.db2.gz ILTZSZFBSHVFKB-QHCPKHFHSA-N 1 1 476.626 -0.336 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001513405597 1068663383 /nfs/dbraw/zinc/66/33/83/1068663383.db2.gz XVGNFHWUVBMHDP-GOSISDBHSA-N 1 1 490.609 -0.544 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001513405601 1068663504 /nfs/dbraw/zinc/66/35/04/1068663504.db2.gz XVGNFHWUVBMHDP-SFHVURJKSA-N 1 1 490.609 -0.544 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001513408708 1068663342 /nfs/dbraw/zinc/66/33/42/1068663342.db2.gz LCWFGIQMTPRHNV-AEFFLSMTSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001513408708 1068663330 /nfs/dbraw/zinc/66/33/30/1068663330.db2.gz LCWFGIQMTPRHNV-AEFFLSMTSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001513408711 1068663305 /nfs/dbraw/zinc/66/33/05/1068663305.db2.gz LCWFGIQMTPRHNV-FUHWJXTLSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001513408711 1068663297 /nfs/dbraw/zinc/66/32/97/1068663297.db2.gz LCWFGIQMTPRHNV-FUHWJXTLSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001513408716 1068663363 /nfs/dbraw/zinc/66/33/63/1068663363.db2.gz LCWFGIQMTPRHNV-SJLPKXTDSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001513408716 1068663359 /nfs/dbraw/zinc/66/33/59/1068663359.db2.gz LCWFGIQMTPRHNV-SJLPKXTDSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001513408721 1068663520 /nfs/dbraw/zinc/66/35/20/1068663520.db2.gz LCWFGIQMTPRHNV-WMZOPIPTSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001513408721 1068663516 /nfs/dbraw/zinc/66/35/16/1068663516.db2.gz LCWFGIQMTPRHNV-WMZOPIPTSA-N 1 1 483.639 -0.001 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001513411087 1068663492 /nfs/dbraw/zinc/66/34/92/1068663492.db2.gz PYCLBPIDXCUWEI-KRWDZBQOSA-N 1 1 484.623 -0.343 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001513411087 1068663489 /nfs/dbraw/zinc/66/34/89/1068663489.db2.gz PYCLBPIDXCUWEI-KRWDZBQOSA-N 1 1 484.623 -0.343 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001513411095 1068663413 /nfs/dbraw/zinc/66/34/13/1068663413.db2.gz PYCLBPIDXCUWEI-QGZVFWFLSA-N 1 1 484.623 -0.343 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001513411095 1068663408 /nfs/dbraw/zinc/66/34/08/1068663408.db2.gz PYCLBPIDXCUWEI-QGZVFWFLSA-N 1 1 484.623 -0.343 20 0 JBADMO CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001513911630 1068666763 /nfs/dbraw/zinc/66/67/63/1068666763.db2.gz KPUKMMDZSDWGMR-UHFFFAOYSA-N 1 1 463.583 -0.541 20 0 JBADMO CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001513911630 1068666754 /nfs/dbraw/zinc/66/67/54/1068666754.db2.gz KPUKMMDZSDWGMR-UHFFFAOYSA-N 1 1 463.583 -0.541 20 0 JBADMO CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001513913059 1068666864 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QRBJUTDMJKCKBN-IPMKNSEASA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[C@H]3COCCO3)C2)CC1 ZINC001515929577 1068709073 /nfs/dbraw/zinc/70/90/73/1068709073.db2.gz QRBJUTDMJKCKBN-OTWHNJEPSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[C@H]3COCCO3)C2)CC1 ZINC001515929580 1068709200 /nfs/dbraw/zinc/70/92/00/1068709200.db2.gz QRBJUTDMJKCKBN-QRVBRYPASA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CCOC3)C2)CC1 ZINC001515930400 1068709509 /nfs/dbraw/zinc/70/95/09/1068709509.db2.gz SAEGBTWQJYAOKD-HLIPFELVSA-N 1 1 471.628 -0.744 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(O)CCOC3)C2)CC1 ZINC001515930402 1068708828 /nfs/dbraw/zinc/70/88/28/1068708828.db2.gz SAEGBTWQJYAOKD-MBOZVWFJSA-N 1 1 471.628 -0.744 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CCOC3)C2)CC1 ZINC001515930404 1068709227 /nfs/dbraw/zinc/70/92/27/1068709227.db2.gz SAEGBTWQJYAOKD-QKLQHJQFSA-N 1 1 471.628 -0.744 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(O)CCOC3)C2)CC1 ZINC001515930406 1068709110 /nfs/dbraw/zinc/70/91/10/1068709110.db2.gz SAEGBTWQJYAOKD-SQGPQFPESA-N 1 1 471.628 -0.744 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3cnn(C)c3)C2)CC1 ZINC001515931125 1068708999 /nfs/dbraw/zinc/70/89/99/1068708999.db2.gz WCZDOMSJAVCTAU-AEFFLSMTSA-N 1 1 465.628 -0.114 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cnn(C)c3)C2)CC1 ZINC001515931141 1068709039 /nfs/dbraw/zinc/70/90/39/1068709039.db2.gz WCZDOMSJAVCTAU-FUHWJXTLSA-N 1 1 465.628 -0.114 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3cnn(C)c3)C2)CC1 ZINC001515931145 1068708922 /nfs/dbraw/zinc/70/89/22/1068708922.db2.gz WCZDOMSJAVCTAU-SJLPKXTDSA-N 1 1 465.628 -0.114 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cnn(C)c3)C2)CC1 ZINC001515931149 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ZINC001515937360 1068710222 /nfs/dbraw/zinc/71/02/22/1068710222.db2.gz JIZSYSRPEBPZJS-RCCFBDPRSA-N 1 1 484.671 -0.171 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001515937427 1068710392 /nfs/dbraw/zinc/71/03/92/1068710392.db2.gz GZRWSMVKHJAGCA-IBGZPJMESA-N 1 1 476.626 -0.058 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001515937429 1068710168 /nfs/dbraw/zinc/71/01/68/1068710168.db2.gz GZRWSMVKHJAGCA-LJQANCHMSA-N 1 1 476.626 -0.058 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001515939134 1068710121 /nfs/dbraw/zinc/71/01/21/1068710121.db2.gz QOUZCGOAVWNDNH-OKZBNKHCSA-N 1 1 484.671 -0.136 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001515939136 1068709967 /nfs/dbraw/zinc/70/99/67/1068709967.db2.gz QOUZCGOAVWNDNH-RCCFBDPRSA-N 1 1 484.671 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001515939367 1068709893 /nfs/dbraw/zinc/70/98/93/1068709893.db2.gz ASIGWVPNONBDFA-INIZCTEOSA-N 1 1 470.644 -0.382 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001515939368 1068710412 /nfs/dbraw/zinc/71/04/12/1068710412.db2.gz ASIGWVPNONBDFA-MRXNPFEDSA-N 1 1 470.644 -0.382 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001515940365 1068709938 /nfs/dbraw/zinc/70/99/38/1068709938.db2.gz SVOMYOMYZBURTQ-MSOLQXFVSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001515940366 1068710054 /nfs/dbraw/zinc/71/00/54/1068710054.db2.gz SVOMYOMYZBURTQ-QZTJIDSGSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001515940368 1068709772 /nfs/dbraw/zinc/70/97/72/1068709772.db2.gz SVOMYOMYZBURTQ-ROUUACIJSA-N 1 1 484.671 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001515940369 1068710288 /nfs/dbraw/zinc/71/02/88/1068710288.db2.gz SVOMYOMYZBURTQ-ZWKOTPCHSA-N 1 1 484.671 -0.027 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001515940428 1068710084 /nfs/dbraw/zinc/71/00/84/1068710084.db2.gz MOQPQWIFHKGMBU-UHFFFAOYSA-N 1 1 464.615 -0.261 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001515941346 1068710998 /nfs/dbraw/zinc/71/09/98/1068710998.db2.gz WBTPDEKWLGBVSF-UHFFFAOYSA-N 1 1 477.658 -0.346 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001515941530 1068710932 /nfs/dbraw/zinc/71/09/32/1068710932.db2.gz YLFNAJVXFBLBMB-SFHVURJKSA-N 1 1 484.671 -0.086 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)CC1 ZINC001515941574 1068711289 /nfs/dbraw/zinc/71/12/89/1068711289.db2.gz ZKXXTURDNJIXRE-DYESRHJHSA-N 1 1 482.655 -0.225 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)CC1 ZINC001515941575 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JBADMO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001517606330 1068797241 /nfs/dbraw/zinc/79/72/41/1068797241.db2.gz DBLXURHGIGBLFZ-IAGOWNOFSA-N 1 1 486.643 -0.413 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001517606332 1068796950 /nfs/dbraw/zinc/79/69/50/1068796950.db2.gz DBLXURHGIGBLFZ-IRXDYDNUSA-N 1 1 486.643 -0.413 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001517606334 1068797164 /nfs/dbraw/zinc/79/71/64/1068797164.db2.gz DBLXURHGIGBLFZ-SJORKVTESA-N 1 1 486.643 -0.413 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001517621377 1068799293 /nfs/dbraw/zinc/79/92/93/1068799293.db2.gz CURPLRJVZQINPA-HNNXBMFYSA-N 1 1 452.585 -0.083 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001517622213 1068799315 /nfs/dbraw/zinc/79/93/15/1068799315.db2.gz FLOXGFDLLVZVOL-QGZVFWFLSA-N 1 1 469.612 -0.388 20 0 JBADMO 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COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001518900387 1068828849 /nfs/dbraw/zinc/82/88/49/1068828849.db2.gz XJWFPMYVAOLNIK-QRVBRYPASA-N 1 1 486.639 -0.070 20 0 JBADMO COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001518900393 1068828819 /nfs/dbraw/zinc/82/88/19/1068828819.db2.gz XJWFPMYVAOLNIK-QYZOEREBSA-N 1 1 486.639 -0.070 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001518908656 1068828901 /nfs/dbraw/zinc/82/89/01/1068828901.db2.gz CTNWNICQCSBJAZ-CVEARBPZSA-N 1 1 460.601 -0.149 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001518908656 1068828884 /nfs/dbraw/zinc/82/88/84/1068828884.db2.gz CTNWNICQCSBJAZ-CVEARBPZSA-N 1 1 460.601 -0.149 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001518908664 1068828961 /nfs/dbraw/zinc/82/89/61/1068828961.db2.gz CTNWNICQCSBJAZ-HOTGVXAUSA-N 1 1 460.601 -0.149 20 0 JBADMO 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COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001518929278 1068829568 /nfs/dbraw/zinc/82/95/68/1068829568.db2.gz NTOSPJCZCBAWMZ-DLBZAZTESA-N 1 1 460.601 -0.197 20 0 JBADMO COC[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001518929281 1068830041 /nfs/dbraw/zinc/83/00/41/1068830041.db2.gz NTOSPJCZCBAWMZ-IAGOWNOFSA-N 1 1 460.601 -0.197 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001518929282 1068830105 /nfs/dbraw/zinc/83/01/05/1068830105.db2.gz NTOSPJCZCBAWMZ-IRXDYDNUSA-N 1 1 460.601 -0.197 20 0 JBADMO COC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001518929284 1068830354 /nfs/dbraw/zinc/83/03/54/1068830354.db2.gz NTOSPJCZCBAWMZ-SJORKVTESA-N 1 1 460.601 -0.197 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001518929692 1068830512 /nfs/dbraw/zinc/83/05/12/1068830512.db2.gz PTKOGAZJMPJHNR-CEXWTWQISA-N 1 1 498.650 -0.026 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001518929692 1068830494 /nfs/dbraw/zinc/83/04/94/1068830494.db2.gz PTKOGAZJMPJHNR-CEXWTWQISA-N 1 1 498.650 -0.026 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001518929693 1068830084 /nfs/dbraw/zinc/83/00/84/1068830084.db2.gz PTKOGAZJMPJHNR-FHWLQOOXSA-N 1 1 498.650 -0.026 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001518929693 1068830066 /nfs/dbraw/zinc/83/00/66/1068830066.db2.gz PTKOGAZJMPJHNR-FHWLQOOXSA-N 1 1 498.650 -0.026 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001518929694 1068830175 /nfs/dbraw/zinc/83/01/75/1068830175.db2.gz PTKOGAZJMPJHNR-GBESFXJTSA-N 1 1 498.650 -0.026 20 0 JBADMO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001518929694 1068830162 /nfs/dbraw/zinc/83/01/62/1068830162.db2.gz 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COCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001519117859 1068838989 /nfs/dbraw/zinc/83/89/89/1068838989.db2.gz PMKFULOHHQIFME-GJZGRUSLSA-N 1 1 458.589 -0.978 20 0 JBADMO COCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001519117861 1068839139 /nfs/dbraw/zinc/83/91/39/1068839139.db2.gz PMKFULOHHQIFME-HUUCEWRRSA-N 1 1 458.589 -0.978 20 0 JBADMO COCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001519117863 1068838847 /nfs/dbraw/zinc/83/88/47/1068838847.db2.gz PMKFULOHHQIFME-LSDHHAIUSA-N 1 1 458.589 -0.978 20 0 JBADMO COCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001519117910 1068838656 /nfs/dbraw/zinc/83/86/56/1068838656.db2.gz QMZHKMOVXZQFJE-KRWDZBQOSA-N 1 1 476.582 -0.141 20 0 JBADMO COCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001519117911 1068839077 /nfs/dbraw/zinc/83/90/77/1068839077.db2.gz QMZHKMOVXZQFJE-QGZVFWFLSA-N 1 1 476.582 -0.141 20 0 JBADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001519118121 1068839304 /nfs/dbraw/zinc/83/93/04/1068839304.db2.gz UXNWCNMLURBORS-KRWDZBQOSA-N 1 1 499.638 -0.704 20 0 JBADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001519118122 1068839585 /nfs/dbraw/zinc/83/95/85/1068839585.db2.gz UXNWCNMLURBORS-QGZVFWFLSA-N 1 1 499.638 -0.704 20 0 JBADMO COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001519118165 1068838551 /nfs/dbraw/zinc/83/85/51/1068838551.db2.gz OUHLWBWNWPQABF-UHFFFAOYSA-N 1 1 456.551 -0.155 20 0 JBADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519119373 1068839349 /nfs/dbraw/zinc/83/93/49/1068839349.db2.gz VKHRNKYEWPUDHC-INIZCTEOSA-N 1 1 487.561 -0.313 20 0 JBADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519119375 1068838764 /nfs/dbraw/zinc/83/87/64/1068838764.db2.gz VKHRNKYEWPUDHC-MRXNPFEDSA-N 1 1 487.561 -0.313 20 0 JBADMO COCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001519122196 1068840245 /nfs/dbraw/zinc/84/02/45/1068840245.db2.gz ITZHHJBKQNTTBM-UHFFFAOYSA-N 1 1 454.601 -0.200 20 0 JBADMO COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001519122251 1068839869 /nfs/dbraw/zinc/83/98/69/1068839869.db2.gz JMQZISZBWLQGSM-GOSISDBHSA-N 1 1 483.639 -0.017 20 0 JBADMO COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001519122252 1068840043 /nfs/dbraw/zinc/84/00/43/1068840043.db2.gz JMQZISZBWLQGSM-SFHVURJKSA-N 1 1 483.639 -0.017 20 0 JBADMO COCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001519125558 1068840185 /nfs/dbraw/zinc/84/01/85/1068840185.db2.gz MZTSKKJQDWHYST-GOSISDBHSA-N 1 1 479.582 -0.785 20 0 JBADMO COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001519181669 1068840753 /nfs/dbraw/zinc/84/07/53/1068840753.db2.gz ALLDYFQXIGPNIO-DLBZAZTESA-N 1 1 485.611 -1.000 20 0 JBADMO COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001519181671 1068841039 /nfs/dbraw/zinc/84/10/39/1068841039.db2.gz ALLDYFQXIGPNIO-IAGOWNOFSA-N 1 1 485.611 -1.000 20 0 JBADMO COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001519181672 1068840950 /nfs/dbraw/zinc/84/09/50/1068840950.db2.gz ALLDYFQXIGPNIO-IRXDYDNUSA-N 1 1 485.611 -1.000 20 0 JBADMO COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001519181673 1068840643 /nfs/dbraw/zinc/84/06/43/1068840643.db2.gz ALLDYFQXIGPNIO-SJORKVTESA-N 1 1 485.611 -1.000 20 0 JBADMO COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001519182154 1068840584 /nfs/dbraw/zinc/84/05/84/1068840584.db2.gz FXUSWJPLVNURMX-FUHWJXTLSA-N 1 1 472.612 -0.053 20 0 JBADMO COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001519182155 1068840907 /nfs/dbraw/zinc/84/09/07/1068840907.db2.gz FXUSWJPLVNURMX-WMZOPIPTSA-N 1 1 472.612 -0.053 20 0 JBADMO COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001519195740 1068843127 /nfs/dbraw/zinc/84/31/27/1068843127.db2.gz KHDFDJGXXGNUSE-GOSISDBHSA-N 1 1 463.583 -0.080 20 0 JBADMO COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001519195748 1068843324 /nfs/dbraw/zinc/84/33/24/1068843324.db2.gz KHDFDJGXXGNUSE-SFHVURJKSA-N 1 1 463.583 -0.080 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001519196827 1068843401 /nfs/dbraw/zinc/84/34/01/1068843401.db2.gz BOQSULZUVHEKNI-INIZCTEOSA-N 1 1 471.628 -0.085 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001519196828 1068843054 /nfs/dbraw/zinc/84/30/54/1068843054.db2.gz BOQSULZUVHEKNI-MRXNPFEDSA-N 1 1 471.628 -0.085 20 0 JBADMO COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001519197693 1068843935 /nfs/dbraw/zinc/84/39/35/1068843935.db2.gz RKAKCVDQBVFBTJ-KRWDZBQOSA-N 1 1 484.623 -0.389 20 0 JBADMO COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001519197697 1068843715 /nfs/dbraw/zinc/84/37/15/1068843715.db2.gz RKAKCVDQBVFBTJ-QGZVFWFLSA-N 1 1 484.623 -0.389 20 0 JBADMO COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)CC1=O ZINC001519199248 1068843644 /nfs/dbraw/zinc/84/36/44/1068843644.db2.gz LHPVKPNJMPMUHK-CVEARBPZSA-N 1 1 457.601 -0.332 20 0 JBADMO COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)CC1=O ZINC001519199251 1068843690 /nfs/dbraw/zinc/84/36/90/1068843690.db2.gz LHPVKPNJMPMUHK-HOTGVXAUSA-N 1 1 457.601 -0.332 20 0 JBADMO COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)CC1=O ZINC001519199253 1068844072 /nfs/dbraw/zinc/84/40/72/1068844072.db2.gz LHPVKPNJMPMUHK-HZPDHXFCSA-N 1 1 457.601 -0.332 20 0 JBADMO COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)CC1=O ZINC001519199255 1068843973 /nfs/dbraw/zinc/84/39/73/1068843973.db2.gz LHPVKPNJMPMUHK-JKSUJKDBSA-N 1 1 457.601 -0.332 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CC1 ZINC001519199904 1068843899 /nfs/dbraw/zinc/84/38/99/1068843899.db2.gz OVFCRDKXYLHWKO-GFCCVEGCSA-N 1 1 471.506 -0.665 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CC1 ZINC001519199976 1068844027 /nfs/dbraw/zinc/84/40/27/1068844027.db2.gz OVFCRDKXYLHWKO-LBPRGKRZSA-N 1 1 471.506 -0.665 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)CC1 ZINC001519200092 1068844011 /nfs/dbraw/zinc/84/40/11/1068844011.db2.gz PHIPGTNCAQKWCX-HNNXBMFYSA-N 1 1 459.617 -0.181 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)CC1 ZINC001519200137 1068844099 /nfs/dbraw/zinc/84/40/99/1068844099.db2.gz PHIPGTNCAQKWCX-OAHLLOKOSA-N 1 1 459.617 -0.181 20 0 JBADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001519200247 1068844424 /nfs/dbraw/zinc/84/44/24/1068844424.db2.gz QVGZJESTANLNSF-DLBZAZTESA-N 1 1 487.627 -0.706 20 0 JBADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001519200248 1068844810 /nfs/dbraw/zinc/84/48/10/1068844810.db2.gz QVGZJESTANLNSF-IAGOWNOFSA-N 1 1 487.627 -0.706 20 0 JBADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001519200249 1068844487 /nfs/dbraw/zinc/84/44/87/1068844487.db2.gz QVGZJESTANLNSF-IRXDYDNUSA-N 1 1 487.627 -0.706 20 0 JBADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001519200250 1068844460 /nfs/dbraw/zinc/84/44/60/1068844460.db2.gz QVGZJESTANLNSF-SJORKVTESA-N 1 1 487.627 -0.706 20 0 JBADMO COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC001519201188 1068844530 /nfs/dbraw/zinc/84/45/30/1068844530.db2.gz UPAQKGCEXOOWCF-CVEARBPZSA-N 1 1 480.595 -0.358 20 0 JBADMO COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC001519201191 1068844557 /nfs/dbraw/zinc/84/45/57/1068844557.db2.gz UPAQKGCEXOOWCF-HOTGVXAUSA-N 1 1 480.595 -0.358 20 0 JBADMO COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC001519201194 1068844746 /nfs/dbraw/zinc/84/47/46/1068844746.db2.gz UPAQKGCEXOOWCF-HZPDHXFCSA-N 1 1 480.595 -0.358 20 0 JBADMO COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC001519201197 1068844846 /nfs/dbraw/zinc/84/48/46/1068844846.db2.gz UPAQKGCEXOOWCF-JKSUJKDBSA-N 1 1 480.595 -0.358 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC(C)(C)C2)CC1 ZINC001519201284 1068844639 /nfs/dbraw/zinc/84/46/39/1068844639.db2.gz UXKTWBBDLJCKCC-KRWDZBQOSA-N 1 1 473.644 -0.233 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOC(C)(C)C2)CC1 ZINC001519201297 1068844701 /nfs/dbraw/zinc/84/47/01/1068844701.db2.gz UXKTWBBDLJCKCC-QGZVFWFLSA-N 1 1 473.644 -0.233 20 0 JBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC001519201310 1068844607 /nfs/dbraw/zinc/84/46/07/1068844607.db2.gz VGJWDWHRUYZQQP-INIZCTEOSA-N 1 1 491.618 -0.009 20 0 JBADMO 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JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541917188 1068963047 /nfs/dbraw/zinc/96/30/47/1068963047.db2.gz XFKLZPUOFUYMAV-QGZVFWFLSA-N 1 1 473.644 -0.233 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541917367 1068962880 /nfs/dbraw/zinc/96/28/80/1068962880.db2.gz AXYGDYXZBHPKDH-CABCVRRESA-N 1 1 457.601 -0.334 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541917368 1068963031 /nfs/dbraw/zinc/96/30/31/1068963031.db2.gz AXYGDYXZBHPKDH-GJZGRUSLSA-N 1 1 457.601 -0.334 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541917369 1068962952 /nfs/dbraw/zinc/96/29/52/1068962952.db2.gz AXYGDYXZBHPKDH-HUUCEWRRSA-N 1 1 457.601 -0.334 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541917370 1068962934 /nfs/dbraw/zinc/96/29/34/1068962934.db2.gz AXYGDYXZBHPKDH-LSDHHAIUSA-N 1 1 457.601 -0.334 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCOCC1 ZINC001541917661 1068962970 /nfs/dbraw/zinc/96/29/70/1068962970.db2.gz GWZKZLSXVYVJCY-IKGGRYGDSA-N 1 1 471.628 -0.088 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCOCC1 ZINC001541917662 1068962911 /nfs/dbraw/zinc/96/29/11/1068962911.db2.gz GWZKZLSXVYVJCY-IXDOHACOSA-N 1 1 471.628 -0.088 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCOCC1 ZINC001541917663 1068963003 /nfs/dbraw/zinc/96/30/03/1068963003.db2.gz GWZKZLSXVYVJCY-ULQDDVLXSA-N 1 1 471.628 -0.088 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCOCC1 ZINC001541917664 1068963356 /nfs/dbraw/zinc/96/33/56/1068963356.db2.gz GWZKZLSXVYVJCY-YESZJQIVSA-N 1 1 471.628 -0.088 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541918193 1068963341 /nfs/dbraw/zinc/96/33/41/1068963341.db2.gz 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472.612 -0.005 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(C)COCCO1 ZINC001541922052 1068964581 /nfs/dbraw/zinc/96/45/81/1068964581.db2.gz BQNMNFXLABSPDD-VDGAXYAQSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541922753 1068964615 /nfs/dbraw/zinc/96/46/15/1068964615.db2.gz NMOOLVRWXSTMOX-DBVUQKKJSA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541922754 1068964543 /nfs/dbraw/zinc/96/45/43/1068964543.db2.gz NMOOLVRWXSTMOX-FFZOFVMBSA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541922755 1068964754 /nfs/dbraw/zinc/96/47/54/1068964754.db2.gz NMOOLVRWXSTMOX-PWIZWCRZSA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541922756 1068964782 /nfs/dbraw/zinc/96/47/82/1068964782.db2.gz NMOOLVRWXSTMOX-VDGAXYAQSA-N 1 1 471.628 -0.744 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1cnn(C)c1 ZINC001541923949 1068964716 /nfs/dbraw/zinc/96/47/16/1068964716.db2.gz GKDVJLZBPRTNDO-BEFAXECRSA-N 1 1 452.585 -0.029 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1cnn(C)c1 ZINC001541923950 1068964743 /nfs/dbraw/zinc/96/47/43/1068964743.db2.gz GKDVJLZBPRTNDO-DNVCBOLYSA-N 1 1 452.585 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1cnn(C)c1 ZINC001541923951 1068964601 /nfs/dbraw/zinc/96/46/01/1068964601.db2.gz GKDVJLZBPRTNDO-HNAYVOBHSA-N 1 1 452.585 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1cnn(C)c1 ZINC001541923952 1068965294 /nfs/dbraw/zinc/96/52/94/1068965294.db2.gz GKDVJLZBPRTNDO-KXBFYZLASA-N 1 1 452.585 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCN1CCOC[C@@H]1C ZINC001541924983 1068965244 /nfs/dbraw/zinc/96/52/44/1068965244.db2.gz VKJWUOBIJVWXJZ-BBTUJRGHSA-N 1 1 485.655 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCN1CCOC[C@H]1C ZINC001541924984 1068965256 /nfs/dbraw/zinc/96/52/56/1068965256.db2.gz VKJWUOBIJVWXJZ-LQWHRVPQSA-N 1 1 485.655 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCN1CCOC[C@H]1C ZINC001541924985 1068965144 /nfs/dbraw/zinc/96/51/44/1068965144.db2.gz VKJWUOBIJVWXJZ-LVCYWYKZSA-N 1 1 485.655 -0.090 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCN1CCOC[C@@H]1C ZINC001541924986 1068965197 /nfs/dbraw/zinc/96/51/97/1068965197.db2.gz VKJWUOBIJVWXJZ-WFXMLNOXSA-N 1 1 485.655 -0.090 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H]1COCCO1 ZINC001541925043 1068965131 /nfs/dbraw/zinc/96/51/31/1068965131.db2.gz WNHBDSWTXINTGF-GJYPPUQNSA-N 1 1 458.585 -0.395 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@H]1COCCO1 ZINC001541925044 1068965172 /nfs/dbraw/zinc/96/51/72/1068965172.db2.gz WNHBDSWTXINTGF-JTDSTZFVSA-N 1 1 458.585 -0.395 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541926967 1068965661 /nfs/dbraw/zinc/96/56/61/1068965661.db2.gz BOIBDXWBCFPJIM-BZSNNMDCSA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541926968 1068965681 /nfs/dbraw/zinc/96/56/81/1068965681.db2.gz BOIBDXWBCFPJIM-KSZLIROESA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541926969 1068965599 /nfs/dbraw/zinc/96/55/99/1068965599.db2.gz BOIBDXWBCFPJIM-OKZBNKHCSA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541926970 1068965618 /nfs/dbraw/zinc/96/56/18/1068965618.db2.gz BOIBDXWBCFPJIM-RCCFBDPRSA-N 1 1 483.639 -0.064 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541927081 1068965740 /nfs/dbraw/zinc/96/57/40/1068965740.db2.gz DMHPVZLPLTVOFM-DOXZYTNZSA-N 1 1 455.585 -0.844 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541927082 1068965701 /nfs/dbraw/zinc/96/57/01/1068965701.db2.gz DMHPVZLPLTVOFM-KHYOSLBOSA-N 1 1 455.585 -0.844 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541927083 1068965587 /nfs/dbraw/zinc/96/55/87/1068965587.db2.gz DMHPVZLPLTVOFM-QMTMVMCOSA-N 1 1 455.585 -0.844 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541927084 1068965609 /nfs/dbraw/zinc/96/56/09/1068965609.db2.gz DMHPVZLPLTVOFM-YZVOILCLSA-N 1 1 455.585 -0.844 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccn(C)n1 ZINC001541927989 1068965628 /nfs/dbraw/zinc/96/56/28/1068965628.db2.gz UBZRHMRUTKBOFB-CVEARBPZSA-N 1 1 452.585 -0.171 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccn(C)n1 ZINC001541927990 1068966136 /nfs/dbraw/zinc/96/61/36/1068966136.db2.gz UBZRHMRUTKBOFB-HOTGVXAUSA-N 1 1 452.585 -0.171 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccn(C)n1 ZINC001541927991 1068966214 /nfs/dbraw/zinc/96/62/14/1068966214.db2.gz UBZRHMRUTKBOFB-HZPDHXFCSA-N 1 1 452.585 -0.171 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccn(C)n1 ZINC001541927992 1068966175 /nfs/dbraw/zinc/96/61/75/1068966175.db2.gz UBZRHMRUTKBOFB-JKSUJKDBSA-N 1 1 452.585 -0.171 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001541928191 1068966120 /nfs/dbraw/zinc/96/61/20/1068966120.db2.gz XPICCPYEKLYNNB-CVEARBPZSA-N 1 1 478.641 -0.519 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001541928192 1068966154 /nfs/dbraw/zinc/96/61/54/1068966154.db2.gz XPICCPYEKLYNNB-HOTGVXAUSA-N 1 1 478.641 -0.519 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001541928193 1068966191 /nfs/dbraw/zinc/96/61/91/1068966191.db2.gz XPICCPYEKLYNNB-HZPDHXFCSA-N 1 1 478.641 -0.519 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001541928194 1068966224 /nfs/dbraw/zinc/96/62/24/1068966224.db2.gz XPICCPYEKLYNNB-JKSUJKDBSA-N 1 1 478.641 -0.519 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541928507 1068966077 /nfs/dbraw/zinc/96/60/77/1068966077.db2.gz BZOPKDIIUBYWDT-DOMZBBRYSA-N 1 1 470.518 -0.152 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541928508 1068966200 /nfs/dbraw/zinc/96/62/00/1068966200.db2.gz BZOPKDIIUBYWDT-IUODEOHRSA-N 1 1 470.518 -0.152 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541928509 1068966165 /nfs/dbraw/zinc/96/61/65/1068966165.db2.gz BZOPKDIIUBYWDT-SWLSCSKDSA-N 1 1 470.518 -0.152 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541928510 1068966144 /nfs/dbraw/zinc/96/61/44/1068966144.db2.gz BZOPKDIIUBYWDT-WFASDCNBSA-N 1 1 470.518 -0.152 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541928549 1068966179 /nfs/dbraw/zinc/96/61/79/1068966179.db2.gz CQGGXPNORCLMKZ-DLBZAZTESA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541928550 1068966585 /nfs/dbraw/zinc/96/65/85/1068966585.db2.gz CQGGXPNORCLMKZ-IAGOWNOFSA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541928551 1068966696 /nfs/dbraw/zinc/96/66/96/1068966696.db2.gz CQGGXPNORCLMKZ-IRXDYDNUSA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541928552 1068966724 /nfs/dbraw/zinc/96/67/24/1068966724.db2.gz CQGGXPNORCLMKZ-SJORKVTESA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541934836 1068969136 /nfs/dbraw/zinc/96/91/36/1068969136.db2.gz FYDMYHJAQXWQLU-CVEARBPZSA-N 1 1 457.601 -0.298 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541934837 1068969198 /nfs/dbraw/zinc/96/91/98/1068969198.db2.gz FYDMYHJAQXWQLU-HOTGVXAUSA-N 1 1 457.601 -0.298 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541934838 1068969074 /nfs/dbraw/zinc/96/90/74/1068969074.db2.gz FYDMYHJAQXWQLU-HZPDHXFCSA-N 1 1 457.601 -0.298 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541934839 1068969163 /nfs/dbraw/zinc/96/91/63/1068969163.db2.gz FYDMYHJAQXWQLU-JKSUJKDBSA-N 1 1 457.601 -0.298 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C ZINC001541940157 1068969936 /nfs/dbraw/zinc/96/99/36/1068969936.db2.gz LEZGBVXOPUGBDX-HNNXBMFYSA-N 1 1 467.600 -0.578 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C ZINC001541940158 1068969954 /nfs/dbraw/zinc/96/99/54/1068969954.db2.gz LEZGBVXOPUGBDX-OAHLLOKOSA-N 1 1 467.600 -0.578 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001541940233 1068969923 /nfs/dbraw/zinc/96/99/23/1068969923.db2.gz MTWVSZUIIVXHIQ-CVEARBPZSA-N 1 1 496.638 -0.700 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001541940234 1068969908 /nfs/dbraw/zinc/96/99/08/1068969908.db2.gz MTWVSZUIIVXHIQ-HOTGVXAUSA-N 1 1 496.638 -0.700 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001541940235 1068969974 /nfs/dbraw/zinc/96/99/74/1068969974.db2.gz MTWVSZUIIVXHIQ-HZPDHXFCSA-N 1 1 496.638 -0.700 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001541940236 1068970032 /nfs/dbraw/zinc/97/00/32/1068970032.db2.gz MTWVSZUIIVXHIQ-JKSUJKDBSA-N 1 1 496.638 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PLJCHYNIDAHIJN-DLBZAZTESA-N 1 1 471.628 -0.206 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCCCO ZINC001541941734 1068971765 /nfs/dbraw/zinc/97/17/65/1068971765.db2.gz PLJCHYNIDAHIJN-IAGOWNOFSA-N 1 1 471.628 -0.206 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCCCO ZINC001541941735 1068971839 /nfs/dbraw/zinc/97/18/39/1068971839.db2.gz PLJCHYNIDAHIJN-IRXDYDNUSA-N 1 1 471.628 -0.206 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCCCO ZINC001541941736 1068972291 /nfs/dbraw/zinc/97/22/91/1068972291.db2.gz PLJCHYNIDAHIJN-SJORKVTESA-N 1 1 471.628 -0.206 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941965 1068972377 /nfs/dbraw/zinc/97/23/77/1068972377.db2.gz UPNMVMRYQBSAHC-DOTOQJQBSA-N 1 1 479.611 -0.403 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941966 1068972438 /nfs/dbraw/zinc/97/24/38/1068972438.db2.gz UPNMVMRYQBSAHC-NVXWUHKLSA-N 1 1 479.611 -0.403 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941967 1068972266 /nfs/dbraw/zinc/97/22/66/1068972266.db2.gz UPNMVMRYQBSAHC-RDJZCZTQSA-N 1 1 479.611 -0.403 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941968 1068972306 /nfs/dbraw/zinc/97/23/06/1068972306.db2.gz UPNMVMRYQBSAHC-WBVHZDCISA-N 1 1 479.611 -0.403 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCOCC(F)F ZINC001541942001 1068972402 /nfs/dbraw/zinc/97/24/02/1068972402.db2.gz VIERWVYDSFZYKY-CABCVRRESA-N 1 1 493.581 -0.087 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCOCC(F)F ZINC001541942002 1068972328 /nfs/dbraw/zinc/97/23/28/1068972328.db2.gz VIERWVYDSFZYKY-GJZGRUSLSA-N 1 1 493.581 -0.087 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCOCC(F)F ZINC001541942003 1068972248 /nfs/dbraw/zinc/97/22/48/1068972248.db2.gz VIERWVYDSFZYKY-HUUCEWRRSA-N 1 1 493.581 -0.087 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCOCC(F)F ZINC001541942004 1068972820 /nfs/dbraw/zinc/97/28/20/1068972820.db2.gz VIERWVYDSFZYKY-LSDHHAIUSA-N 1 1 493.581 -0.087 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001541942239 1068972673 /nfs/dbraw/zinc/97/26/73/1068972673.db2.gz ZSEMFBHPGFTJFI-KRWDZBQOSA-N 1 1 486.643 -0.197 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001541942240 1068972644 /nfs/dbraw/zinc/97/26/44/1068972644.db2.gz ZSEMFBHPGFTJFI-QGZVFWFLSA-N 1 1 486.643 -0.197 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541942847 1068973195 /nfs/dbraw/zinc/97/31/95/1068973195.db2.gz LMMILCVDWPAAEO-FOIQADDNSA-N 1 1 482.586 -0.184 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541942848 1068973684 /nfs/dbraw/zinc/97/36/84/1068973684.db2.gz LMMILCVDWPAAEO-MGPUTAFESA-N 1 1 482.586 -0.184 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541942849 1068973736 /nfs/dbraw/zinc/97/37/36/1068973736.db2.gz LMMILCVDWPAAEO-QRWLVFNGSA-N 1 1 482.586 -0.184 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541942850 1068973755 /nfs/dbraw/zinc/97/37/55/1068973755.db2.gz LMMILCVDWPAAEO-YWZLYKJASA-N 1 1 482.586 -0.184 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001541943311 1068973801 /nfs/dbraw/zinc/97/38/01/1068973801.db2.gz TYILKZAXLXDVFN-HNNXBMFYSA-N 1 1 467.600 -0.185 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001541943312 1068973765 /nfs/dbraw/zinc/97/37/65/1068973765.db2.gz TYILKZAXLXDVFN-OAHLLOKOSA-N 1 1 467.600 -0.185 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943869 1068974629 /nfs/dbraw/zinc/97/46/29/1068974629.db2.gz GAJCWXUAYBUHSA-DOTOQJQBSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943870 1068974607 /nfs/dbraw/zinc/97/46/07/1068974607.db2.gz GAJCWXUAYBUHSA-NVXWUHKLSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943871 1068974702 /nfs/dbraw/zinc/97/47/02/1068974702.db2.gz GAJCWXUAYBUHSA-RDJZCZTQSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943872 1068974666 /nfs/dbraw/zinc/97/46/66/1068974666.db2.gz GAJCWXUAYBUHSA-WBVHZDCISA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944057 1068975177 /nfs/dbraw/zinc/97/51/77/1068975177.db2.gz JISIUNFOUWSMLD-DOTOQJQBSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944058 1068974991 /nfs/dbraw/zinc/97/49/91/1068974991.db2.gz JISIUNFOUWSMLD-NVXWUHKLSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944059 1068975100 /nfs/dbraw/zinc/97/51/00/1068975100.db2.gz JISIUNFOUWSMLD-RDJZCZTQSA-N 1 1 469.612 -0.285 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944060 1068975005 /nfs/dbraw/zinc/97/50/05/1068975005.db2.gz JISIUNFOUWSMLD-WBVHZDCISA-N 1 1 469.612 -0.285 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001541944185 1068975115 /nfs/dbraw/zinc/97/51/15/1068975115.db2.gz LHCRLCOBHHDDAI-INIZCTEOSA-N 1 1 458.633 -0.561 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001541944186 1068975156 /nfs/dbraw/zinc/97/51/56/1068975156.db2.gz LHCRLCOBHHDDAI-MRXNPFEDSA-N 1 1 458.633 -0.561 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001541944270 1068974966 /nfs/dbraw/zinc/97/49/66/1068974966.db2.gz MNQXJGJMLVJSSH-CABCVRRESA-N 1 1 475.641 -0.546 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001541944271 1068975616 /nfs/dbraw/zinc/97/56/16/1068975616.db2.gz MNQXJGJMLVJSSH-GJZGRUSLSA-N 1 1 475.641 -0.546 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001541944272 1068975589 /nfs/dbraw/zinc/97/55/89/1068975589.db2.gz MNQXJGJMLVJSSH-HUUCEWRRSA-N 1 1 475.641 -0.546 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001541944273 1068975512 /nfs/dbraw/zinc/97/55/12/1068975512.db2.gz MNQXJGJMLVJSSH-LSDHHAIUSA-N 1 1 475.641 -0.546 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCNS(C)(=O)=O ZINC001541944618 1068975522 /nfs/dbraw/zinc/97/55/22/1068975522.db2.gz UPGAFCVJLDTVDD-AWEZNQCLSA-N 1 1 491.665 -0.179 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCNS(C)(=O)=O ZINC001541944619 1068975574 /nfs/dbraw/zinc/97/55/74/1068975574.db2.gz UPGAFCVJLDTVDD-CQSZACIVSA-N 1 1 491.665 -0.179 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@]1(O)CCOC1 ZINC001541944918 1068975912 /nfs/dbraw/zinc/97/59/12/1068975912.db2.gz ZEJKQTHCTDHCIR-BXWFABGCSA-N 1 1 458.585 -0.659 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@]1(O)CCOC1 ZINC001541944919 1068976276 /nfs/dbraw/zinc/97/62/76/1068976276.db2.gz ZEJKQTHCTDHCIR-FCEWJHQRSA-N 1 1 458.585 -0.659 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@]1(O)CCOC1 ZINC001541944920 1068976323 /nfs/dbraw/zinc/97/63/23/1068976323.db2.gz ZEJKQTHCTDHCIR-FRQCXROJSA-N 1 1 458.585 -0.659 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@]1(O)CCOC1 ZINC001541944921 1068976252 /nfs/dbraw/zinc/97/62/52/1068976252.db2.gz ZEJKQTHCTDHCIR-TXPKVOOTSA-N 1 1 458.585 -0.659 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541945080 1068976313 /nfs/dbraw/zinc/97/63/13/1068976313.db2.gz BJOWWAXSUYNVGB-CVEARBPZSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541945081 1068976364 /nfs/dbraw/zinc/97/63/64/1068976364.db2.gz BJOWWAXSUYNVGB-HOTGVXAUSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541945082 1068976336 /nfs/dbraw/zinc/97/63/36/1068976336.db2.gz BJOWWAXSUYNVGB-HZPDHXFCSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541945083 1068976262 /nfs/dbraw/zinc/97/62/62/1068976262.db2.gz BJOWWAXSUYNVGB-JKSUJKDBSA-N 1 1 469.612 -0.190 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945084 1068976235 /nfs/dbraw/zinc/97/62/35/1068976235.db2.gz BLPFQCVZIBQHAD-CVEARBPZSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945084 1068976227 /nfs/dbraw/zinc/97/62/27/1068976227.db2.gz BLPFQCVZIBQHAD-CVEARBPZSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945085 1068976836 /nfs/dbraw/zinc/97/68/36/1068976836.db2.gz BLPFQCVZIBQHAD-HOTGVXAUSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945085 1068976833 /nfs/dbraw/zinc/97/68/33/1068976833.db2.gz BLPFQCVZIBQHAD-HOTGVXAUSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945086 1068976780 /nfs/dbraw/zinc/97/67/80/1068976780.db2.gz BLPFQCVZIBQHAD-HZPDHXFCSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945086 1068976775 /nfs/dbraw/zinc/97/67/75/1068976775.db2.gz BLPFQCVZIBQHAD-HZPDHXFCSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945087 1068976724 /nfs/dbraw/zinc/97/67/24/1068976724.db2.gz BLPFQCVZIBQHAD-JKSUJKDBSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCCCS(C)(=O)=O ZINC001541945087 1068976723 /nfs/dbraw/zinc/97/67/23/1068976723.db2.gz BLPFQCVZIBQHAD-JKSUJKDBSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541945426 1068977304 /nfs/dbraw/zinc/97/73/04/1068977304.db2.gz GWBJTAMEBZVLFU-CVEARBPZSA-N 1 1 484.627 -0.843 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541945427 1068977178 /nfs/dbraw/zinc/97/71/78/1068977178.db2.gz GWBJTAMEBZVLFU-HOTGVXAUSA-N 1 1 484.627 -0.843 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541945428 1068977327 /nfs/dbraw/zinc/97/73/27/1068977327.db2.gz GWBJTAMEBZVLFU-HZPDHXFCSA-N 1 1 484.627 -0.843 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541945429 1068977257 /nfs/dbraw/zinc/97/72/57/1068977257.db2.gz GWBJTAMEBZVLFU-JKSUJKDBSA-N 1 1 484.627 -0.843 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001541945648 1068977728 /nfs/dbraw/zinc/97/77/28/1068977728.db2.gz JYFVDFDSPDJVEG-INIZCTEOSA-N 1 1 477.591 -0.295 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001541945649 1068977787 /nfs/dbraw/zinc/97/77/87/1068977787.db2.gz JYFVDFDSPDJVEG-MRXNPFEDSA-N 1 1 477.591 -0.295 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945670 1068977742 /nfs/dbraw/zinc/97/77/42/1068977742.db2.gz KDGAZDBRCZHPLA-DLBZAZTESA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945670 1068977741 /nfs/dbraw/zinc/97/77/41/1068977741.db2.gz KDGAZDBRCZHPLA-DLBZAZTESA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945671 1068977813 /nfs/dbraw/zinc/97/78/13/1068977813.db2.gz KDGAZDBRCZHPLA-IAGOWNOFSA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945671 1068977802 /nfs/dbraw/zinc/97/78/02/1068977802.db2.gz KDGAZDBRCZHPLA-IAGOWNOFSA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945672 1068977873 /nfs/dbraw/zinc/97/78/73/1068977873.db2.gz KDGAZDBRCZHPLA-IRXDYDNUSA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945672 1068977870 /nfs/dbraw/zinc/97/78/70/1068977870.db2.gz KDGAZDBRCZHPLA-IRXDYDNUSA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945673 1068978162 /nfs/dbraw/zinc/97/81/62/1068978162.db2.gz KDGAZDBRCZHPLA-SJORKVTESA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945673 1068978155 /nfs/dbraw/zinc/97/81/55/1068978155.db2.gz KDGAZDBRCZHPLA-SJORKVTESA-N 1 1 471.628 -0.480 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945700 1068978255 /nfs/dbraw/zinc/97/82/55/1068978255.db2.gz KNKGDWNVRKCVGS-CVEARBPZSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945700 1068978252 /nfs/dbraw/zinc/97/82/52/1068978252.db2.gz KNKGDWNVRKCVGS-CVEARBPZSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945701 1068978368 /nfs/dbraw/zinc/97/83/68/1068978368.db2.gz KNKGDWNVRKCVGS-HOTGVXAUSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945701 1068978362 /nfs/dbraw/zinc/97/83/62/1068978362.db2.gz KNKGDWNVRKCVGS-HOTGVXAUSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945702 1068978329 /nfs/dbraw/zinc/97/83/29/1068978329.db2.gz KNKGDWNVRKCVGS-HZPDHXFCSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945702 1068978326 /nfs/dbraw/zinc/97/83/26/1068978326.db2.gz KNKGDWNVRKCVGS-HZPDHXFCSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945703 1068978199 /nfs/dbraw/zinc/97/81/99/1068978199.db2.gz KNKGDWNVRKCVGS-JKSUJKDBSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945703 1068978196 /nfs/dbraw/zinc/97/81/96/1068978196.db2.gz KNKGDWNVRKCVGS-JKSUJKDBSA-N 1 1 464.596 -0.082 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945728 1068978218 /nfs/dbraw/zinc/97/82/18/1068978218.db2.gz KTPWHSBZVFKKQD-KBPBESRZSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945728 1068978215 /nfs/dbraw/zinc/97/82/15/1068978215.db2.gz KTPWHSBZVFKKQD-KBPBESRZSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945729 1068978297 /nfs/dbraw/zinc/97/82/97/1068978297.db2.gz KTPWHSBZVFKKQD-KGLIPLIRSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945729 1068978294 /nfs/dbraw/zinc/97/82/94/1068978294.db2.gz KTPWHSBZVFKKQD-KGLIPLIRSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945730 1068978316 /nfs/dbraw/zinc/97/83/16/1068978316.db2.gz KTPWHSBZVFKKQD-UONOGXRCSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945730 1068978315 /nfs/dbraw/zinc/97/83/15/1068978315.db2.gz KTPWHSBZVFKKQD-UONOGXRCSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945731 1068978142 /nfs/dbraw/zinc/97/81/42/1068978142.db2.gz KTPWHSBZVFKKQD-ZIAGYGMSSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945731 1068978138 /nfs/dbraw/zinc/97/81/38/1068978138.db2.gz KTPWHSBZVFKKQD-ZIAGYGMSSA-N 1 1 469.534 -0.097 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946058 1068978751 /nfs/dbraw/zinc/97/87/51/1068978751.db2.gz PEQWUBDNZBMIJJ-CRAIPNDOSA-N 1 1 450.565 -0.050 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946058 1068978746 /nfs/dbraw/zinc/97/87/46/1068978746.db2.gz PEQWUBDNZBMIJJ-CRAIPNDOSA-N 1 1 450.565 -0.050 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946059 1068979197 /nfs/dbraw/zinc/97/91/97/1068979197.db2.gz PEQWUBDNZBMIJJ-MAUKXSAKSA-N 1 1 450.565 -0.050 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946059 1068979193 /nfs/dbraw/zinc/97/91/93/1068979193.db2.gz PEQWUBDNZBMIJJ-MAUKXSAKSA-N 1 1 450.565 -0.050 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946060 1068979078 /nfs/dbraw/zinc/97/90/78/1068979078.db2.gz PEQWUBDNZBMIJJ-QAPCUYQASA-N 1 1 450.565 -0.050 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946060 1068979074 /nfs/dbraw/zinc/97/90/74/1068979074.db2.gz PEQWUBDNZBMIJJ-QAPCUYQASA-N 1 1 450.565 -0.050 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946061 1068979180 /nfs/dbraw/zinc/97/91/80/1068979180.db2.gz PEQWUBDNZBMIJJ-YJBOKZPZSA-N 1 1 450.565 -0.050 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1cccc(CO)c1 ZINC001541946061 1068979176 /nfs/dbraw/zinc/97/91/76/1068979176.db2.gz PEQWUBDNZBMIJJ-YJBOKZPZSA-N 1 1 450.565 -0.050 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001541946178 1068979681 /nfs/dbraw/zinc/97/96/81/1068979681.db2.gz QYTGZRMPKUFQAZ-GJZGRUSLSA-N 1 1 465.646 -0.301 20 0 JBADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001541946179 1068979596 /nfs/dbraw/zinc/97/95/96/1068979596.db2.gz QYTGZRMPKUFQAZ-LSDHHAIUSA-N 1 1 465.646 -0.301 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[NH+]1CCOCC1 ZINC001541946450 1068979618 /nfs/dbraw/zinc/97/96/18/1068979618.db2.gz VZOMZMQKMMBFGP-BEFAXECRSA-N 1 1 471.584 -0.359 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[NH+]1CCOCC1 ZINC001541946451 1068979659 /nfs/dbraw/zinc/97/96/59/1068979659.db2.gz VZOMZMQKMMBFGP-DNVCBOLYSA-N 1 1 471.584 -0.359 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[NH+]1CCOCC1 ZINC001541946452 1068979634 /nfs/dbraw/zinc/97/96/34/1068979634.db2.gz VZOMZMQKMMBFGP-HNAYVOBHSA-N 1 1 471.584 -0.359 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[NH+]1CCOCC1 ZINC001541946453 1068979569 /nfs/dbraw/zinc/97/95/69/1068979569.db2.gz VZOMZMQKMMBFGP-KXBFYZLASA-N 1 1 471.584 -0.359 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541949072 1068980994 /nfs/dbraw/zinc/98/09/94/1068980994.db2.gz JCHUSDFMOYITDN-JXFKEZNVSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541949072 1068980991 /nfs/dbraw/zinc/98/09/91/1068980991.db2.gz JCHUSDFMOYITDN-JXFKEZNVSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541949073 1068980839 /nfs/dbraw/zinc/98/08/39/1068980839.db2.gz JCHUSDFMOYITDN-OXJNMPFZSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541949073 1068980838 /nfs/dbraw/zinc/98/08/38/1068980838.db2.gz JCHUSDFMOYITDN-OXJNMPFZSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541949074 1068980866 /nfs/dbraw/zinc/98/08/66/1068980866.db2.gz JCHUSDFMOYITDN-OXQOHEQNSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541949074 1068980862 /nfs/dbraw/zinc/98/08/62/1068980862.db2.gz JCHUSDFMOYITDN-OXQOHEQNSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541949075 1068980928 /nfs/dbraw/zinc/98/09/28/1068980928.db2.gz JCHUSDFMOYITDN-UZLBHIALSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541949075 1068980926 /nfs/dbraw/zinc/98/09/26/1068980926.db2.gz JCHUSDFMOYITDN-UZLBHIALSA-N 1 1 472.612 -0.005 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001541950044 1068981351 /nfs/dbraw/zinc/98/13/51/1068981351.db2.gz AFOPVVGUOBDBLY-FGTMMUONSA-N 1 1 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1068995386 /nfs/dbraw/zinc/99/53/86/1068995386.db2.gz BBLLDSLFNYIMNI-GOSISDBHSA-N 1 1 451.593 -0.095 20 0 JBADMO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001543505905 1068995268 /nfs/dbraw/zinc/99/52/68/1068995268.db2.gz BBLLDSLFNYIMNI-SFHVURJKSA-N 1 1 451.593 -0.095 20 0 JBADMO Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)[C@@H](O)C(=O)N2C)cn1 ZINC001543530518 1068995368 /nfs/dbraw/zinc/99/53/68/1068995368.db2.gz ZMHKFUSEXMCGKK-NJDAHSKKSA-N 1 1 454.531 -0.135 20 0 JBADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)CC1 ZINC001543694085 1068995931 /nfs/dbraw/zinc/99/59/31/1068995931.db2.gz NNPRTTPCADSGBU-FQEVSTJZSA-N 1 1 451.593 -0.476 20 0 JBADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)CC1 ZINC001543694085 1068995925 /nfs/dbraw/zinc/99/59/25/1068995925.db2.gz NNPRTTPCADSGBU-FQEVSTJZSA-N 1 1 451.593 -0.476 20 0 JBADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)CC1 ZINC001543694086 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CC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC[N@H+]1CCOC ZINC001546752795 1069021081 /nfs/dbraw/zinc/02/10/81/1069021081.db2.gz BSEYSNUSZCUKJA-KZNAEPCWSA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC[N@H+]1CCOC ZINC001546752797 1069022354 /nfs/dbraw/zinc/02/23/54/1069022354.db2.gz BSEYSNUSZCUKJA-SQNIBIBYSA-N 1 1 499.638 -0.563 20 0 JBADMO CC[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)CCOC)CCO1 ZINC001546754595 1069021856 /nfs/dbraw/zinc/02/18/56/1069021856.db2.gz OVCOZUZCNBAMNY-DLBZAZTESA-N 1 1 460.601 -0.196 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)CCOC)CCO1 ZINC001546754596 1069022055 /nfs/dbraw/zinc/02/20/55/1069022055.db2.gz OVCOZUZCNBAMNY-IAGOWNOFSA-N 1 1 460.601 -0.196 20 0 JBADMO CC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)CCOC)CCO1 ZINC001546754597 1069022208 /nfs/dbraw/zinc/02/22/08/1069022208.db2.gz OVCOZUZCNBAMNY-IRXDYDNUSA-N 1 1 460.601 -0.196 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)CCOC)CCO1 ZINC001546754598 1069021764 /nfs/dbraw/zinc/02/17/64/1069021764.db2.gz OVCOZUZCNBAMNY-SJORKVTESA-N 1 1 460.601 -0.196 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001546754791 1069021911 /nfs/dbraw/zinc/02/19/11/1069021911.db2.gz QHAHHZINWZSZQN-FGTMMUONSA-N 1 1 499.638 -0.706 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001546754792 1069022006 /nfs/dbraw/zinc/02/20/06/1069022006.db2.gz QHAHHZINWZSZQN-KURKYZTESA-N 1 1 499.638 -0.706 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001546754793 1069022168 /nfs/dbraw/zinc/02/21/68/1069022168.db2.gz QHAHHZINWZSZQN-KZNAEPCWSA-N 1 1 499.638 -0.706 20 0 JBADMO CC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001546754794 1069022295 /nfs/dbraw/zinc/02/22/95/1069022295.db2.gz QHAHHZINWZSZQN-SQNIBIBYSA-N 1 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ASPUSVBQSCNURY-FXAWDEMLSA-N 1 1 474.628 -0.070 20 0 JBADMO CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001546844974 1069023469 /nfs/dbraw/zinc/02/34/69/1069023469.db2.gz ASPUSVBQSCNURY-PXNSSMCTSA-N 1 1 474.628 -0.070 20 0 JBADMO CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001546844976 1069023808 /nfs/dbraw/zinc/02/38/08/1069023808.db2.gz ASPUSVBQSCNURY-XLIONFOSSA-N 1 1 474.628 -0.070 20 0 JBADMO CCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001546844978 1069023838 /nfs/dbraw/zinc/02/38/38/1069023838.db2.gz ASPUSVBQSCNURY-YLJYHZDGSA-N 1 1 474.628 -0.070 20 0 JBADMO CCC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001546956265 1069024331 /nfs/dbraw/zinc/02/43/31/1069024331.db2.gz JKLWDHRFEWWJBT-FUHIMQAGSA-N 1 1 472.612 -0.317 20 0 JBADMO CCC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001546956266 1069024444 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CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001547700940 1069051090 /nfs/dbraw/zinc/05/10/90/1069051090.db2.gz QJDAPIDBEHCOAN-DBXWQHBBSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001547700944 1069051215 /nfs/dbraw/zinc/05/12/15/1069051215.db2.gz QJDAPIDBEHCOAN-LQWHRVPQSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001547700947 1069051141 /nfs/dbraw/zinc/05/11/41/1069051141.db2.gz QJDAPIDBEHCOAN-LVCYWYKZSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001547700950 1069051171 /nfs/dbraw/zinc/05/11/71/1069051171.db2.gz QJDAPIDBEHCOAN-OPYAIIAOSA-N 1 1 485.655 -0.090 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547701053 1069051201 /nfs/dbraw/zinc/05/12/01/1069051201.db2.gz RKTUUMHIPIMSJZ-BZUAXINKSA-N 1 1 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462.599 -0.880 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547717710 1069051958 /nfs/dbraw/zinc/05/19/58/1069051958.db2.gz IERKIXPLVXRHEN-DLBZAZTESA-N 1 1 485.611 -1.000 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547717720 1069051855 /nfs/dbraw/zinc/05/18/55/1069051855.db2.gz IERKIXPLVXRHEN-IAGOWNOFSA-N 1 1 485.611 -1.000 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547717725 1069051920 /nfs/dbraw/zinc/05/19/20/1069051920.db2.gz IERKIXPLVXRHEN-IRXDYDNUSA-N 1 1 485.611 -1.000 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547717729 1069051740 /nfs/dbraw/zinc/05/17/40/1069051740.db2.gz IERKIXPLVXRHEN-SJORKVTESA-N 1 1 485.611 -1.000 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723964 1069052799 /nfs/dbraw/zinc/05/27/99/1069052799.db2.gz GNKGLGJGQKOGSC-BBWFWOEESA-N 1 1 468.628 -0.617 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723968 1069052913 /nfs/dbraw/zinc/05/29/13/1069052913.db2.gz GNKGLGJGQKOGSC-BRWVUGGUSA-N 1 1 468.628 -0.617 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723969 1069052832 /nfs/dbraw/zinc/05/28/32/1069052832.db2.gz GNKGLGJGQKOGSC-GVDBMIGSSA-N 1 1 468.628 -0.617 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723971 1069052888 /nfs/dbraw/zinc/05/28/88/1069052888.db2.gz GNKGLGJGQKOGSC-ZACQAIPSSA-N 1 1 468.628 -0.617 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547724734 1069052850 /nfs/dbraw/zinc/05/28/50/1069052850.db2.gz RISCRQBVEGIPQU-GOSISDBHSA-N 1 1 482.655 -0.444 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547724737 1069052777 /nfs/dbraw/zinc/05/27/77/1069052777.db2.gz RISCRQBVEGIPQU-SFHVURJKSA-N 1 1 482.655 -0.444 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724753 1069052757 /nfs/dbraw/zinc/05/27/57/1069052757.db2.gz DRLGGBDPOGIKIU-TVFCKZIOSA-N 1 1 471.628 -0.277 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724782 1069052740 /nfs/dbraw/zinc/05/27/40/1069052740.db2.gz DRLGGBDPOGIKIU-XDNAFOTISA-N 1 1 471.628 -0.277 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724784 1069052860 /nfs/dbraw/zinc/05/28/60/1069052860.db2.gz DRLGGBDPOGIKIU-XLAORIBOSA-N 1 1 471.628 -0.277 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724787 1069052898 /nfs/dbraw/zinc/05/28/98/1069052898.db2.gz DRLGGBDPOGIKIU-XWTMOSNGSA-N 1 1 471.628 -0.277 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724807 1069053699 /nfs/dbraw/zinc/05/36/99/1069053699.db2.gz KPZWFQMZXFPHQU-AEFFLSMTSA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724810 1069053675 /nfs/dbraw/zinc/05/36/75/1069053675.db2.gz KPZWFQMZXFPHQU-FUHWJXTLSA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724812 1069053888 /nfs/dbraw/zinc/05/38/88/1069053888.db2.gz KPZWFQMZXFPHQU-SJLPKXTDSA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724814 1069053737 /nfs/dbraw/zinc/05/37/37/1069053737.db2.gz KPZWFQMZXFPHQU-WMZOPIPTSA-N 1 1 482.655 -0.369 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H]3COCCO3)C2)CC1 ZINC001547724879 1069053623 /nfs/dbraw/zinc/05/36/23/1069053623.db2.gz LGMBMLSWBGAQHP-KZNAEPCWSA-N 1 1 471.628 -0.480 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3COCCO3)C2)CC1 ZINC001547724882 1069053813 /nfs/dbraw/zinc/05/38/13/1069053813.db2.gz LGMBMLSWBGAQHP-RCCFBDPRSA-N 1 1 471.628 -0.480 20 0 JBADMO CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725222 1069053664 /nfs/dbraw/zinc/05/36/64/1069053664.db2.gz VUYNUDWVTWLNLP-PMACEKPBSA-N 1 1 483.683 -0.025 20 0 JBADMO CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725223 1069053835 /nfs/dbraw/zinc/05/38/35/1069053835.db2.gz VUYNUDWVTWLNLP-UXHICEINSA-N 1 1 483.683 -0.025 20 0 JBADMO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725224 1069053873 /nfs/dbraw/zinc/05/38/73/1069053873.db2.gz VUYNUDWVTWLNLP-VQTJNVASSA-N 1 1 483.683 -0.025 20 0 JBADMO CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725225 1069053654 /nfs/dbraw/zinc/05/36/54/1069053654.db2.gz VUYNUDWVTWLNLP-WOJBJXKFSA-N 1 1 483.683 -0.025 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725414 1069053908 /nfs/dbraw/zinc/05/39/08/1069053908.db2.gz XKDBPTFIEWYEKN-DLBZAZTESA-N 1 1 468.628 -0.615 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725418 1069053723 /nfs/dbraw/zinc/05/37/23/1069053723.db2.gz XKDBPTFIEWYEKN-IAGOWNOFSA-N 1 1 468.628 -0.615 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725420 1069053712 /nfs/dbraw/zinc/05/37/12/1069053712.db2.gz XKDBPTFIEWYEKN-IRXDYDNUSA-N 1 1 468.628 -0.615 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725421 1069053929 /nfs/dbraw/zinc/05/39/29/1069053929.db2.gz XKDBPTFIEWYEKN-SJORKVTESA-N 1 1 468.628 -0.615 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725877 1069053753 /nfs/dbraw/zinc/05/37/53/1069053753.db2.gz IQGRZZJJQHTDLU-MSOLQXFVSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725878 1069053847 /nfs/dbraw/zinc/05/38/47/1069053847.db2.gz IQGRZZJJQHTDLU-QZTJIDSGSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725879 1069053640 /nfs/dbraw/zinc/05/36/40/1069053640.db2.gz IQGRZZJJQHTDLU-ROUUACIJSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725880 1069053772 /nfs/dbraw/zinc/05/37/72/1069053772.db2.gz IQGRZZJJQHTDLU-ZWKOTPCHSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547726300 1069054722 /nfs/dbraw/zinc/05/47/22/1069054722.db2.gz MRQDHTXKOHFKNS-BBWFWOEESA-N 1 1 470.644 -0.527 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547726301 1069054580 /nfs/dbraw/zinc/05/45/80/1069054580.db2.gz MRQDHTXKOHFKNS-GVDBMIGSSA-N 1 1 470.644 -0.527 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547726302 1069054514 /nfs/dbraw/zinc/05/45/14/1069054514.db2.gz MRQDHTXKOHFKNS-ULQDDVLXSA-N 1 1 470.644 -0.527 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547726303 1069054681 /nfs/dbraw/zinc/05/46/81/1069054681.db2.gz MRQDHTXKOHFKNS-YESZJQIVSA-N 1 1 470.644 -0.527 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730796 1069055665 /nfs/dbraw/zinc/05/56/65/1069055665.db2.gz OFDXETZKIBPLTA-PMACEKPBSA-N 1 1 489.669 -0.287 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730801 1069055560 /nfs/dbraw/zinc/05/55/60/1069055560.db2.gz OFDXETZKIBPLTA-UXHICEINSA-N 1 1 489.669 -0.287 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730804 1069055698 /nfs/dbraw/zinc/05/56/98/1069055698.db2.gz OFDXETZKIBPLTA-VQTJNVASSA-N 1 1 489.669 -0.287 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730807 1069055637 /nfs/dbraw/zinc/05/56/37/1069055637.db2.gz OFDXETZKIBPLTA-WOJBJXKFSA-N 1 1 489.669 -0.287 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731808 1069055610 /nfs/dbraw/zinc/05/56/10/1069055610.db2.gz SZESOIWEQGFGJO-CEXWTWQISA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731810 1069055710 /nfs/dbraw/zinc/05/57/10/1069055710.db2.gz SZESOIWEQGFGJO-FHWLQOOXSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731812 1069055542 /nfs/dbraw/zinc/05/55/42/1069055542.db2.gz SZESOIWEQGFGJO-GBESFXJTSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731814 1069055647 /nfs/dbraw/zinc/05/56/47/1069055647.db2.gz SZESOIWEQGFGJO-QYZOEREBSA-N 1 1 496.682 -0.027 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547734559 1069055691 /nfs/dbraw/zinc/05/56/91/1069055691.db2.gz VOKUDERKEDYGGP-IBGZPJMESA-N 1 1 476.626 -0.231 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547734564 1069055630 /nfs/dbraw/zinc/05/56/30/1069055630.db2.gz VOKUDERKEDYGGP-LJQANCHMSA-N 1 1 476.626 -0.231 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001547735484 1069055583 /nfs/dbraw/zinc/05/55/83/1069055583.db2.gz RQAKLQGVWTVSSU-GOSISDBHSA-N 1 1 462.599 -0.448 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001547735490 1069055551 /nfs/dbraw/zinc/05/55/51/1069055551.db2.gz RQAKLQGVWTVSSU-SFHVURJKSA-N 1 1 462.599 -0.448 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001547736129 1069055595 /nfs/dbraw/zinc/05/55/95/1069055595.db2.gz MRGXZKXNRJUCRX-FQEVSTJZSA-N 1 1 499.682 -0.153 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001547736132 1069055675 /nfs/dbraw/zinc/05/56/75/1069055675.db2.gz MRGXZKXNRJUCRX-HXUWFJFHSA-N 1 1 499.682 -0.153 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001547736725 1069056523 /nfs/dbraw/zinc/05/65/23/1069056523.db2.gz VFRHKPDZXCUKFQ-MOPGFXCFSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001547736731 1069056452 /nfs/dbraw/zinc/05/64/52/1069056452.db2.gz VFRHKPDZXCUKFQ-OALUTQOASA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001547736733 1069056835 /nfs/dbraw/zinc/05/68/35/1069056835.db2.gz VFRHKPDZXCUKFQ-RBUKOAKNSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001547736735 1069056638 /nfs/dbraw/zinc/05/66/38/1069056638.db2.gz VFRHKPDZXCUKFQ-RTBURBONSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)CC1 ZINC001547736952 1069056799 /nfs/dbraw/zinc/05/67/99/1069056799.db2.gz YMFKFAFUUMBSMU-MOPGFXCFSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001547736953 1069056701 /nfs/dbraw/zinc/05/67/01/1069056701.db2.gz YMFKFAFUUMBSMU-OALUTQOASA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001547736954 1069056605 /nfs/dbraw/zinc/05/66/05/1069056605.db2.gz YMFKFAFUUMBSMU-RBUKOAKNSA-N 1 1 485.655 -0.136 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)CC1 ZINC001547736955 1069056819 /nfs/dbraw/zinc/05/68/19/1069056819.db2.gz YMFKFAFUUMBSMU-RTBURBONSA-N 1 1 485.655 -0.136 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001547763753 1069059292 /nfs/dbraw/zinc/05/92/92/1069059292.db2.gz SLKINDIDYJENFX-DLBZAZTESA-N 1 1 493.638 -0.080 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001547763754 1069059267 /nfs/dbraw/zinc/05/92/67/1069059267.db2.gz SLKINDIDYJENFX-IAGOWNOFSA-N 1 1 493.638 -0.080 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC001547763755 1069059217 /nfs/dbraw/zinc/05/92/17/1069059217.db2.gz SLKINDIDYJENFX-IRXDYDNUSA-N 1 1 493.638 -0.080 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC001547763756 1069059124 /nfs/dbraw/zinc/05/91/24/1069059124.db2.gz SLKINDIDYJENFX-SJORKVTESA-N 1 1 493.638 -0.080 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001547763784 1069059156 /nfs/dbraw/zinc/05/91/56/1069059156.db2.gz TVUQOIPQQGDLBR-UHFFFAOYSA-N 1 1 489.669 -0.200 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001547764905 1069059903 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1069063610 /nfs/dbraw/zinc/06/36/10/1069063610.db2.gz WGIVMDKHVOZSSY-RBUKOAKNSA-N 1 1 497.666 -0.715 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001547768275 1069063558 /nfs/dbraw/zinc/06/35/58/1069063558.db2.gz WGIVMDKHVOZSSY-RTBURBONSA-N 1 1 497.666 -0.715 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547768972 1069063577 /nfs/dbraw/zinc/06/35/77/1069063577.db2.gz QKNXHPOMPLOWTJ-JOCHJYFZSA-N 1 1 490.634 -0.406 20 0 JBADMO CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547768973 1069063601 /nfs/dbraw/zinc/06/36/01/1069063601.db2.gz QKNXHPOMPLOWTJ-QFIPXVFZSA-N 1 1 490.634 -0.406 20 0 JBADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001547775740 1069065055 /nfs/dbraw/zinc/06/50/55/1069065055.db2.gz XXSWQQPKEJUHQY-AEFFLSMTSA-N 1 1 498.654 -0.055 20 0 JBADMO CCNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001547775741 1069065222 /nfs/dbraw/zinc/06/52/22/1069065222.db2.gz XXSWQQPKEJUHQY-FUHWJXTLSA-N 1 1 498.654 -0.055 20 0 JBADMO CCNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001547775742 1069065261 /nfs/dbraw/zinc/06/52/61/1069065261.db2.gz XXSWQQPKEJUHQY-SJLPKXTDSA-N 1 1 498.654 -0.055 20 0 JBADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001547775743 1069065126 /nfs/dbraw/zinc/06/51/26/1069065126.db2.gz XXSWQQPKEJUHQY-WMZOPIPTSA-N 1 1 498.654 -0.055 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001547779606 1069066970 /nfs/dbraw/zinc/06/69/70/1069066970.db2.gz ZFFQHTDNNMIGMI-BEFAXECRSA-N 1 1 455.585 -0.901 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001547779615 1069066985 /nfs/dbraw/zinc/06/69/85/1069066985.db2.gz ZFFQHTDNNMIGMI-DNVCBOLYSA-N 1 1 455.585 -0.901 20 0 JBADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001547779617 1069067003 /nfs/dbraw/zinc/06/70/03/1069067003.db2.gz ZFFQHTDNNMIGMI-HNAYVOBHSA-N 1 1 455.585 -0.901 20 0 JBADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001547779618 1069066938 /nfs/dbraw/zinc/06/69/38/1069066938.db2.gz ZFFQHTDNNMIGMI-KXBFYZLASA-N 1 1 455.585 -0.901 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001547781843 1069066909 /nfs/dbraw/zinc/06/69/09/1069066909.db2.gz PVINOFKSMSNNSH-BBWFWOEESA-N 1 1 469.612 -0.285 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001547781844 1069066870 /nfs/dbraw/zinc/06/68/70/1069066870.db2.gz PVINOFKSMSNNSH-BRWVUGGUSA-N 1 1 469.612 -0.285 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001547781845 1069067028 /nfs/dbraw/zinc/06/70/28/1069067028.db2.gz PVINOFKSMSNNSH-GVDBMIGSSA-N 1 1 469.612 -0.285 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001547781847 1069066922 /nfs/dbraw/zinc/06/69/22/1069066922.db2.gz PVINOFKSMSNNSH-ZACQAIPSSA-N 1 1 469.612 -0.285 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001547782930 1069066950 /nfs/dbraw/zinc/06/69/50/1069066950.db2.gz VCBCLEFJUNGGCM-AHRSYUTCSA-N 1 1 472.612 -0.485 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001547782931 1069067042 /nfs/dbraw/zinc/06/70/42/1069067042.db2.gz VCBCLEFJUNGGCM-LSTHTHJFSA-N 1 1 472.612 -0.485 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001547782932 1069067020 /nfs/dbraw/zinc/06/70/20/1069067020.db2.gz VCBCLEFJUNGGCM-NSISKUIASA-N 1 1 472.612 -0.485 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001547782933 1069066890 /nfs/dbraw/zinc/06/68/90/1069066890.db2.gz VCBCLEFJUNGGCM-UXPWSPDFSA-N 1 1 472.612 -0.485 20 0 JBADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCOCC2)C1 ZINC001547788588 1069069414 /nfs/dbraw/zinc/06/94/14/1069069414.db2.gz QCHNLMDHMMLKPT-KRWDZBQOSA-N 1 1 469.612 -0.359 20 0 JBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCOCC2)C1 ZINC001547788589 1069069353 /nfs/dbraw/zinc/06/93/53/1069069353.db2.gz QCHNLMDHMMLKPT-QGZVFWFLSA-N 1 1 469.612 -0.359 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC(C(=O)NCCOC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547885645 1069073355 /nfs/dbraw/zinc/07/33/55/1069073355.db2.gz VKSPVGPWPYSSIM-DHIUTWEWSA-N 1 1 480.610 -0.024 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCC(C(=O)NCCOC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547885646 1069073368 /nfs/dbraw/zinc/07/33/68/1069073368.db2.gz VKSPVGPWPYSSIM-GOTSBHOMSA-N 1 1 480.610 -0.024 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCC(C(=O)NCCOC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547885647 1069073285 /nfs/dbraw/zinc/07/32/85/1069073285.db2.gz VKSPVGPWPYSSIM-PKTZIBPZSA-N 1 1 480.610 -0.024 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC(C(=O)NCCOC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547885648 1069073339 /nfs/dbraw/zinc/07/33/39/1069073339.db2.gz VKSPVGPWPYSSIM-XZOQPEGZSA-N 1 1 480.610 -0.024 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC(NC(=O)COC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547892021 1069073255 /nfs/dbraw/zinc/07/32/55/1069073255.db2.gz LYMANHHYYGLAJS-FCHUYYIVSA-N 1 1 466.583 -0.272 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC(NC(=O)COC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547892022 1069073307 /nfs/dbraw/zinc/07/33/07/1069073307.db2.gz LYMANHHYYGLAJS-FGZHOGPDSA-N 1 1 466.583 -0.272 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCC(NC(=O)COC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547892023 1069074176 /nfs/dbraw/zinc/07/41/76/1069074176.db2.gz LYMANHHYYGLAJS-VXKWHMMOSA-N 1 1 466.583 -0.272 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCC(NC(=O)COC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547892024 1069074147 /nfs/dbraw/zinc/07/41/47/1069074147.db2.gz LYMANHHYYGLAJS-YADHBBJMSA-N 1 1 466.583 -0.272 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547904197 1069075833 /nfs/dbraw/zinc/07/58/33/1069075833.db2.gz MDISBQUAMBTVND-DUXKGJEZSA-N 1 1 486.639 -0.238 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547904198 1069075756 /nfs/dbraw/zinc/07/57/56/1069075756.db2.gz MDISBQUAMBTVND-DZFGPLHGSA-N 1 1 486.639 -0.238 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547904199 1069075899 /nfs/dbraw/zinc/07/58/99/1069075899.db2.gz MDISBQUAMBTVND-IOMROCGXSA-N 1 1 486.639 -0.238 20 0 JBADMO CCO[C@]1(c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547904200 1069075871 /nfs/dbraw/zinc/07/58/71/1069075871.db2.gz MDISBQUAMBTVND-JRGCBEDISA-N 1 1 486.639 -0.238 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915400 1069079263 /nfs/dbraw/zinc/07/92/63/1069079263.db2.gz CNRSGVUZAOHWID-MOPGFXCFSA-N 1 1 458.585 -0.922 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915404 1069079281 /nfs/dbraw/zinc/07/92/81/1069079281.db2.gz CNRSGVUZAOHWID-OALUTQOASA-N 1 1 458.585 -0.922 20 0 JBADMO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915406 1069079174 /nfs/dbraw/zinc/07/91/74/1069079174.db2.gz CNRSGVUZAOHWID-RBUKOAKNSA-N 1 1 458.585 -0.922 20 0 JBADMO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915408 1069079186 /nfs/dbraw/zinc/07/91/86/1069079186.db2.gz CNRSGVUZAOHWID-RTBURBONSA-N 1 1 458.585 -0.922 20 0 JBADMO CCO[C@]1(c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915584 1069079315 /nfs/dbraw/zinc/07/93/15/1069079315.db2.gz JGSSWCIKBBRFOT-DHIUTWEWSA-N 1 1 479.626 -0.357 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915586 1069079157 /nfs/dbraw/zinc/07/91/57/1069079157.db2.gz JGSSWCIKBBRFOT-GOTSBHOMSA-N 1 1 479.626 -0.357 20 0 JBADMO CCO[C@@]1(c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915587 1069079231 /nfs/dbraw/zinc/07/92/31/1069079231.db2.gz JGSSWCIKBBRFOT-PKTZIBPZSA-N 1 1 479.626 -0.357 20 0 JBADMO CCO[C@]1(c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547915589 1069079303 /nfs/dbraw/zinc/07/93/03/1069079303.db2.gz JGSSWCIKBBRFOT-XZOQPEGZSA-N 1 1 479.626 -0.357 20 0 JBADMO CCO[C@]1(c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCS(=O)(=O)NC)CCOC1 ZINC001547917251 1069079994 /nfs/dbraw/zinc/07/99/94/1069079994.db2.gz ORDBYHFNNJFKHS-FXAWDEMLSA-N 1 1 472.612 -0.220 20 0 JBADMO CCO[C@@]1(c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCS(=O)(=O)NC)CCOC1 ZINC001547917253 1069080032 /nfs/dbraw/zinc/08/00/32/1069080032.db2.gz ORDBYHFNNJFKHS-PXNSSMCTSA-N 1 1 472.612 -0.220 20 0 JBADMO CCO[C@@]1(c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCS(=O)(=O)NC)CCOC1 ZINC001547917255 1069080007 /nfs/dbraw/zinc/08/00/07/1069080007.db2.gz ORDBYHFNNJFKHS-XLIONFOSSA-N 1 1 472.612 -0.220 20 0 JBADMO CCO[C@]1(c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCS(=O)(=O)NC)CCOC1 ZINC001547917257 1069080014 /nfs/dbraw/zinc/08/00/14/1069080014.db2.gz ORDBYHFNNJFKHS-YLJYHZDGSA-N 1 1 472.612 -0.220 20 0 JBADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCNS(C)(=O)=O ZINC001548098567 1069083543 /nfs/dbraw/zinc/08/35/43/1069083543.db2.gz BJEOIZIWQRYYDX-DOTOQJQBSA-N 1 1 457.601 -0.647 20 0 JBADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCNS(C)(=O)=O ZINC001548098568 1069083275 /nfs/dbraw/zinc/08/32/75/1069083275.db2.gz BJEOIZIWQRYYDX-NVXWUHKLSA-N 1 1 457.601 -0.647 20 0 JBADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCNS(C)(=O)=O ZINC001548098569 1069083501 /nfs/dbraw/zinc/08/35/01/1069083501.db2.gz BJEOIZIWQRYYDX-RDJZCZTQSA-N 1 1 457.601 -0.647 20 0 JBADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCNS(C)(=O)=O ZINC001548098570 1069083482 /nfs/dbraw/zinc/08/34/82/1069083482.db2.gz BJEOIZIWQRYYDX-WBVHZDCISA-N 1 1 457.601 -0.647 20 0 JBADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCNS(C)(=O)=O ZINC001548099833 1069083428 /nfs/dbraw/zinc/08/34/28/1069083428.db2.gz SMJFVHOUIXRORF-AEFFLSMTSA-N 1 1 471.628 -0.257 20 0 JBADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCNS(C)(=O)=O ZINC001548099837 1069083604 /nfs/dbraw/zinc/08/36/04/1069083604.db2.gz SMJFVHOUIXRORF-FUHWJXTLSA-N 1 1 471.628 -0.257 20 0 JBADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCNS(C)(=O)=O ZINC001548099838 1069083359 /nfs/dbraw/zinc/08/33/59/1069083359.db2.gz SMJFVHOUIXRORF-SJLPKXTDSA-N 1 1 471.628 -0.257 20 0 JBADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCNS(C)(=O)=O ZINC001548099839 1069083454 /nfs/dbraw/zinc/08/34/54/1069083454.db2.gz SMJFVHOUIXRORF-WMZOPIPTSA-N 1 1 471.628 -0.257 20 0 JBADMO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001548125187 1069083321 /nfs/dbraw/zinc/08/33/21/1069083321.db2.gz MVCITLMFMKBVBF-KRWDZBQOSA-N 1 1 457.597 -0.087 20 0 JBADMO CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001548125188 1069083566 /nfs/dbraw/zinc/08/35/66/1069083566.db2.gz MVCITLMFMKBVBF-QGZVFWFLSA-N 1 1 457.597 -0.087 20 0 JBADMO CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001548162973 1069084113 /nfs/dbraw/zinc/08/41/13/1069084113.db2.gz MYWYQKIOLIUPIU-UHFFFAOYSA-N 1 1 498.650 -0.111 20 0 JBADMO CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001548162973 1069084100 /nfs/dbraw/zinc/08/41/00/1069084100.db2.gz MYWYQKIOLIUPIU-UHFFFAOYSA-N 1 1 498.650 -0.111 20 0 JBADMO CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001548163513 1069084149 /nfs/dbraw/zinc/08/41/49/1069084149.db2.gz YPHDLWRGUOFBRP-UHFFFAOYSA-N 1 1 483.639 -0.015 20 0 JBADMO CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001548163513 1069084140 /nfs/dbraw/zinc/08/41/40/1069084140.db2.gz YPHDLWRGUOFBRP-UHFFFAOYSA-N 1 1 483.639 -0.015 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548164962 1069084965 /nfs/dbraw/zinc/08/49/65/1069084965.db2.gz SHJOCPCLGCLVOM-IBGZPJMESA-N 1 1 493.609 -0.710 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548164963 1069085056 /nfs/dbraw/zinc/08/50/56/1069085056.db2.gz SHJOCPCLGCLVOM-LJQANCHMSA-N 1 1 493.609 -0.710 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001548165271 1069084896 /nfs/dbraw/zinc/08/48/96/1069084896.db2.gz DEJFANCIFRDRSQ-KRWDZBQOSA-N 1 1 463.583 -0.161 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001548165272 1069084998 /nfs/dbraw/zinc/08/49/98/1069084998.db2.gz DEJFANCIFRDRSQ-QGZVFWFLSA-N 1 1 463.583 -0.161 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC(=O)N1CCOCC1 ZINC001548165453 1069085087 /nfs/dbraw/zinc/08/50/87/1069085087.db2.gz JHACGNINXUPBPR-GOSISDBHSA-N 1 1 463.583 -0.194 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC(=O)N1CCOCC1 ZINC001548165454 1069085113 /nfs/dbraw/zinc/08/51/13/1069085113.db2.gz JHACGNINXUPBPR-SFHVURJKSA-N 1 1 463.583 -0.194 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548166979 1069085836 /nfs/dbraw/zinc/08/58/36/1069085836.db2.gz LMVXTNJXJHRLEI-FQEVSTJZSA-N 1 1 479.626 -0.236 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548166980 1069085773 /nfs/dbraw/zinc/08/57/73/1069085773.db2.gz LMVXTNJXJHRLEI-HXUWFJFHSA-N 1 1 479.626 -0.236 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001548167228 1069085866 /nfs/dbraw/zinc/08/58/66/1069085866.db2.gz PDRLMVDNKJCAJS-UHFFFAOYSA-N 1 1 479.626 -0.094 20 0 JBADMO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001548167228 1069085858 /nfs/dbraw/zinc/08/58/58/1069085858.db2.gz PDRLMVDNKJCAJS-UHFFFAOYSA-N 1 1 479.626 -0.094 20 0 JBADMO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001548183200 1069086624 /nfs/dbraw/zinc/08/66/24/1069086624.db2.gz XEASTYZXCXCNTB-KRWDZBQOSA-N 1 1 471.628 -0.161 20 0 JBADMO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001548183201 1069086556 /nfs/dbraw/zinc/08/65/56/1069086556.db2.gz XEASTYZXCXCNTB-QGZVFWFLSA-N 1 1 471.628 -0.161 20 0 JBADMO CCOC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001548208590 1069086577 /nfs/dbraw/zinc/08/65/77/1069086577.db2.gz NRSWFKNRUDFRIG-DBXWQHBBSA-N 1 1 486.639 -0.070 20 0 JBADMO CCOC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001548208591 1069086725 /nfs/dbraw/zinc/08/67/25/1069086725.db2.gz NRSWFKNRUDFRIG-LQWHRVPQSA-N 1 1 486.639 -0.070 20 0 JBADMO CCOC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001548208592 1069086659 /nfs/dbraw/zinc/08/66/59/1069086659.db2.gz NRSWFKNRUDFRIG-LVCYWYKZSA-N 1 1 486.639 -0.070 20 0 JBADMO CCOC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001548208593 1069087646 /nfs/dbraw/zinc/08/76/46/1069087646.db2.gz NRSWFKNRUDFRIG-OPYAIIAOSA-N 1 1 486.639 -0.070 20 0 JBADMO CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001548245270 1069087558 /nfs/dbraw/zinc/08/75/58/1069087558.db2.gz GSMJYVWCGFYAQQ-DLBZAZTESA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001548245270 1069087556 /nfs/dbraw/zinc/08/75/56/1069087556.db2.gz GSMJYVWCGFYAQQ-DLBZAZTESA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001548245271 1069087606 /nfs/dbraw/zinc/08/76/06/1069087606.db2.gz GSMJYVWCGFYAQQ-IAGOWNOFSA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001548245271 1069087601 /nfs/dbraw/zinc/08/76/01/1069087601.db2.gz GSMJYVWCGFYAQQ-IAGOWNOFSA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001548245272 1069087638 /nfs/dbraw/zinc/08/76/38/1069087638.db2.gz GSMJYVWCGFYAQQ-IRXDYDNUSA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001548245272 1069087634 /nfs/dbraw/zinc/08/76/34/1069087634.db2.gz GSMJYVWCGFYAQQ-IRXDYDNUSA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001548245273 1069087575 /nfs/dbraw/zinc/08/75/75/1069087575.db2.gz GSMJYVWCGFYAQQ-SJORKVTESA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001548245273 1069087573 /nfs/dbraw/zinc/08/75/73/1069087573.db2.gz GSMJYVWCGFYAQQ-SJORKVTESA-N 1 1 458.585 -0.442 20 0 JBADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 ZINC001548283867 1069089202 /nfs/dbraw/zinc/08/92/02/1069089202.db2.gz AJVNFBMRJKPGIU-GOSISDBHSA-N 1 1 482.611 -0.265 20 0 JBADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 ZINC001548283872 1069089247 /nfs/dbraw/zinc/08/92/47/1069089247.db2.gz AJVNFBMRJKPGIU-SFHVURJKSA-N 1 1 482.611 -0.265 20 0 JBADMO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001548284208 1069089237 /nfs/dbraw/zinc/08/92/37/1069089237.db2.gz DYJSGRFDHALSKA-FXAWDEMLSA-N 1 1 456.613 -0.595 20 0 JBADMO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001548284208 1069089233 /nfs/dbraw/zinc/08/92/33/1069089233.db2.gz DYJSGRFDHALSKA-FXAWDEMLSA-N 1 1 456.613 -0.595 20 0 JBADMO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001548284209 1069089164 /nfs/dbraw/zinc/08/91/64/1069089164.db2.gz DYJSGRFDHALSKA-PXNSSMCTSA-N 1 1 456.613 -0.595 20 0 JBADMO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001548284209 1069089160 /nfs/dbraw/zinc/08/91/60/1069089160.db2.gz DYJSGRFDHALSKA-PXNSSMCTSA-N 1 1 456.613 -0.595 20 0 JBADMO 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C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(C)(=O)=O)CC1 ZINC001554360276 1069145124 /nfs/dbraw/zinc/14/51/24/1069145124.db2.gz HVNZOEASQXLVSN-MRXNPFEDSA-N 1 1 467.596 -0.699 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001554360279 1069144755 /nfs/dbraw/zinc/14/47/55/1069144755.db2.gz IAHFEDIVDWTOID-MOPGFXCFSA-N 1 1 498.650 -0.024 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001554360280 1069144873 /nfs/dbraw/zinc/14/48/73/1069144873.db2.gz IAHFEDIVDWTOID-OALUTQOASA-N 1 1 498.650 -0.024 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001554360281 1069145109 /nfs/dbraw/zinc/14/51/09/1069145109.db2.gz IAHFEDIVDWTOID-RBUKOAKNSA-N 1 1 498.650 -0.024 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001554360282 1069145003 /nfs/dbraw/zinc/14/50/03/1069145003.db2.gz IAHFEDIVDWTOID-RTBURBONSA-N 1 1 498.650 -0.024 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCNS(C)(=O)=O)CC1 ZINC001554360514 1069145087 /nfs/dbraw/zinc/14/50/87/1069145087.db2.gz YVVBYNWJJQDLQY-GOSISDBHSA-N 1 1 476.607 -0.444 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCNS(C)(=O)=O)CC1 ZINC001554360515 1069144924 /nfs/dbraw/zinc/14/49/24/1069144924.db2.gz YVVBYNWJJQDLQY-SFHVURJKSA-N 1 1 476.607 -0.444 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)CC1 ZINC001554360645 1069145047 /nfs/dbraw/zinc/14/50/47/1069145047.db2.gz MVUHKSVCJDTFPT-KRWDZBQOSA-N 1 1 496.638 -0.804 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)CC1 ZINC001554360646 1069145138 /nfs/dbraw/zinc/14/51/38/1069145138.db2.gz MVUHKSVCJDTFPT-QGZVFWFLSA-N 1 1 496.638 -0.804 20 0 JBADMO Cn1cccc1-c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCNS(C)(=O)=O ZINC001554360877 1069144839 /nfs/dbraw/zinc/14/48/39/1069144839.db2.gz PZBHQSSJPWMBNB-KRWDZBQOSA-N 1 1 464.596 -0.424 20 0 JBADMO Cn1cccc1-c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCNS(C)(=O)=O ZINC001554360878 1069144981 /nfs/dbraw/zinc/14/49/81/1069144981.db2.gz PZBHQSSJPWMBNB-QGZVFWFLSA-N 1 1 464.596 -0.424 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001554360963 1069144794 /nfs/dbraw/zinc/14/47/94/1069144794.db2.gz RQLXKRAYPKILFI-KRWDZBQOSA-N 1 1 479.611 -0.687 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001554360964 1069144954 /nfs/dbraw/zinc/14/49/54/1069144954.db2.gz RQLXKRAYPKILFI-QGZVFWFLSA-N 1 1 479.611 -0.687 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001554361037 1069145912 /nfs/dbraw/zinc/14/59/12/1069145912.db2.gz SFRYULJYEUDRIZ-KRWDZBQOSA-N 1 1 479.611 -0.639 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001554361038 1069145617 /nfs/dbraw/zinc/14/56/17/1069145617.db2.gz SFRYULJYEUDRIZ-QGZVFWFLSA-N 1 1 479.611 -0.639 20 0 JBADMO CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC001554362191 1069145862 /nfs/dbraw/zinc/14/58/62/1069145862.db2.gz FSVAHONVENGKCL-DLBZAZTESA-N 1 1 454.597 -0.305 20 0 JBADMO CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC001554362192 1069145705 /nfs/dbraw/zinc/14/57/05/1069145705.db2.gz FSVAHONVENGKCL-IAGOWNOFSA-N 1 1 454.597 -0.305 20 0 JBADMO CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC001554362193 1069145537 /nfs/dbraw/zinc/14/55/37/1069145537.db2.gz FSVAHONVENGKCL-IRXDYDNUSA-N 1 1 454.597 -0.305 20 0 JBADMO CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC001554362194 1069145498 /nfs/dbraw/zinc/14/54/98/1069145498.db2.gz FSVAHONVENGKCL-SJORKVTESA-N 1 1 454.597 -0.305 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1(C)C ZINC001554364416 1069146727 /nfs/dbraw/zinc/14/67/27/1069146727.db2.gz NZUYKXPPJMABQP-HRAATJIYSA-N 1 1 467.640 -0.092 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1(C)C ZINC001554364417 1069146479 /nfs/dbraw/zinc/14/64/79/1069146479.db2.gz NZUYKXPPJMABQP-IERDGZPVSA-N 1 1 467.640 -0.092 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1(C)C ZINC001554364418 1069146614 /nfs/dbraw/zinc/14/66/14/1069146614.db2.gz NZUYKXPPJMABQP-IIBYNOLFSA-N 1 1 467.640 -0.092 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1(C)C ZINC001554364419 1069146361 /nfs/dbraw/zinc/14/63/61/1069146361.db2.gz NZUYKXPPJMABQP-KKSFZXQISA-N 1 1 467.640 -0.092 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001554364479 1069146516 /nfs/dbraw/zinc/14/65/16/1069146516.db2.gz PMTLKXBJEFVFCK-KRWDZBQOSA-N 1 1 497.666 -0.323 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001554364480 1069146409 /nfs/dbraw/zinc/14/64/09/1069146409.db2.gz PMTLKXBJEFVFCK-QGZVFWFLSA-N 1 1 497.666 -0.323 20 0 JBADMO CN1CC[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1(C)C ZINC001554364841 1069146662 /nfs/dbraw/zinc/14/66/62/1069146662.db2.gz UOJCVDMFHQZSBJ-KRWDZBQOSA-N 1 1 482.655 -0.273 20 0 JBADMO CN1CC[N@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1(C)C ZINC001554364841 1069146656 /nfs/dbraw/zinc/14/66/56/1069146656.db2.gz UOJCVDMFHQZSBJ-KRWDZBQOSA-N 1 1 482.655 -0.273 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1(C)C ZINC001554364841 1069146652 /nfs/dbraw/zinc/14/66/52/1069146652.db2.gz UOJCVDMFHQZSBJ-KRWDZBQOSA-N 1 1 482.655 -0.273 20 0 JBADMO CN1CC[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1(C)C ZINC001554364842 1069146588 /nfs/dbraw/zinc/14/65/88/1069146588.db2.gz UOJCVDMFHQZSBJ-QGZVFWFLSA-N 1 1 482.655 -0.273 20 0 JBADMO CN1CC[N@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1(C)C ZINC001554364842 1069146580 /nfs/dbraw/zinc/14/65/80/1069146580.db2.gz UOJCVDMFHQZSBJ-QGZVFWFLSA-N 1 1 482.655 -0.273 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1(C)C ZINC001554364842 1069146575 /nfs/dbraw/zinc/14/65/75/1069146575.db2.gz UOJCVDMFHQZSBJ-QGZVFWFLSA-N 1 1 482.655 -0.273 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001554369464 1069147395 /nfs/dbraw/zinc/14/73/95/1069147395.db2.gz XJVWVFWXMDRTHX-HRCADAONSA-N 1 1 471.628 -0.183 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001554369468 1069147483 /nfs/dbraw/zinc/14/74/83/1069147483.db2.gz XJVWVFWXMDRTHX-JYJNAYRXSA-N 1 1 471.628 -0.183 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001554369470 1069147304 /nfs/dbraw/zinc/14/73/04/1069147304.db2.gz XJVWVFWXMDRTHX-OWCLPIDISA-N 1 1 471.628 -0.183 20 0 JBADMO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001554369471 1069147456 /nfs/dbraw/zinc/14/74/56/1069147456.db2.gz XJVWVFWXMDRTHX-PMPSAXMXSA-N 1 1 471.628 -0.183 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001554389567 1069148558 /nfs/dbraw/zinc/14/85/58/1069148558.db2.gz QAGYEMBGOXJYBG-BRWVUGGUSA-N 1 1 462.599 -0.010 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001554389569 1069148735 /nfs/dbraw/zinc/14/87/35/1069148735.db2.gz QAGYEMBGOXJYBG-IKGGRYGDSA-N 1 1 462.599 -0.010 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001554389571 1069148902 /nfs/dbraw/zinc/14/89/02/1069148902.db2.gz QAGYEMBGOXJYBG-IXDOHACOSA-N 1 1 462.599 -0.010 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001554389573 1069148603 /nfs/dbraw/zinc/14/86/03/1069148603.db2.gz QAGYEMBGOXJYBG-ZACQAIPSSA-N 1 1 462.599 -0.010 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001554391535 1069148937 /nfs/dbraw/zinc/14/89/37/1069148937.db2.gz JCFINZSSXLKSPY-BRWVUGGUSA-N 1 1 494.622 -0.112 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001554391536 1069148805 /nfs/dbraw/zinc/14/88/05/1069148805.db2.gz JCFINZSSXLKSPY-IKGGRYGDSA-N 1 1 494.622 -0.112 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001554391537 1069148640 /nfs/dbraw/zinc/14/86/40/1069148640.db2.gz JCFINZSSXLKSPY-IXDOHACOSA-N 1 1 494.622 -0.112 20 0 JBADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001554391538 1069149507 /nfs/dbraw/zinc/14/95/07/1069149507.db2.gz JCFINZSSXLKSPY-ZACQAIPSSA-N 1 1 494.622 -0.112 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001554398792 1069149543 /nfs/dbraw/zinc/14/95/43/1069149543.db2.gz SGXAHTRBKBFSJA-FOIQADDNSA-N 1 1 471.628 -0.039 20 0 JBADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 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CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001554419760 1069151939 /nfs/dbraw/zinc/15/19/39/1069151939.db2.gz SSWLJAWJSAEFSE-HZPDHXFCSA-N 1 1 471.628 -0.039 20 0 JBADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001554419761 1069151831 /nfs/dbraw/zinc/15/18/31/1069151831.db2.gz SSWLJAWJSAEFSE-JKSUJKDBSA-N 1 1 471.628 -0.039 20 0 JBADMO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CC1 ZINC001554434627 1069153043 /nfs/dbraw/zinc/15/30/43/1069153043.db2.gz MGNQUZXYSAIGTN-HNNXBMFYSA-N 1 1 457.601 -0.427 20 0 JBADMO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CC1 ZINC001554434631 1069153313 /nfs/dbraw/zinc/15/33/13/1069153313.db2.gz MGNQUZXYSAIGTN-OAHLLOKOSA-N 1 1 457.601 -0.427 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001554439562 1069154047 /nfs/dbraw/zinc/15/40/47/1069154047.db2.gz DBBYVGXDGGQSTE-MSOLQXFVSA-N 1 1 490.609 -0.592 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001554439563 1069153958 /nfs/dbraw/zinc/15/39/58/1069153958.db2.gz DBBYVGXDGGQSTE-QZTJIDSGSA-N 1 1 490.609 -0.592 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001554439564 1069154600 /nfs/dbraw/zinc/15/46/00/1069154600.db2.gz DBBYVGXDGGQSTE-ROUUACIJSA-N 1 1 490.609 -0.592 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001554439565 1069154562 /nfs/dbraw/zinc/15/45/62/1069154562.db2.gz DBBYVGXDGGQSTE-ZWKOTPCHSA-N 1 1 490.609 -0.592 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001554439823 1069154701 /nfs/dbraw/zinc/15/47/01/1069154701.db2.gz AYLNSCFSAZWWII-GOSISDBHSA-N 1 1 464.615 -0.359 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001554439824 1069154735 /nfs/dbraw/zinc/15/47/35/1069154735.db2.gz AYLNSCFSAZWWII-SFHVURJKSA-N 1 1 464.615 -0.359 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001554440481 1069154766 /nfs/dbraw/zinc/15/47/66/1069154766.db2.gz FZLHFCJXMVFTHR-KRWDZBQOSA-N 1 1 472.550 -0.011 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001554440482 1069154658 /nfs/dbraw/zinc/15/46/58/1069154658.db2.gz FZLHFCJXMVFTHR-QGZVFWFLSA-N 1 1 472.550 -0.011 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001554441497 1069155523 /nfs/dbraw/zinc/15/55/23/1069155523.db2.gz NLTUEJPFRDNJRG-DZKIICNBSA-N 1 1 455.585 -0.676 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001554441498 1069155444 /nfs/dbraw/zinc/15/54/44/1069155444.db2.gz NLTUEJPFRDNJRG-FMKPAKJESA-N 1 1 455.585 -0.676 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001554441499 1069155545 /nfs/dbraw/zinc/15/55/45/1069155545.db2.gz NLTUEJPFRDNJRG-LZWOXQAQSA-N 1 1 455.585 -0.676 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001554441500 1069155597 /nfs/dbraw/zinc/15/55/97/1069155597.db2.gz NLTUEJPFRDNJRG-YCPHGPKFSA-N 1 1 455.585 -0.676 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001554441523 1069155381 /nfs/dbraw/zinc/15/53/81/1069155381.db2.gz NTZZXXGKNDNQHP-BBWFWOEESA-N 1 1 471.628 -0.040 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001554441524 1069155398 /nfs/dbraw/zinc/15/53/98/1069155398.db2.gz NTZZXXGKNDNQHP-IKGGRYGDSA-N 1 1 471.628 -0.040 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001554441525 1069155465 /nfs/dbraw/zinc/15/54/65/1069155465.db2.gz NTZZXXGKNDNQHP-ULQDDVLXSA-N 1 1 471.628 -0.040 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001554441526 1069155573 /nfs/dbraw/zinc/15/55/73/1069155573.db2.gz NTZZXXGKNDNQHP-ZACQAIPSSA-N 1 1 471.628 -0.040 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001554451363 1069161609 /nfs/dbraw/zinc/16/16/09/1069161609.db2.gz FPCWLQAPEVFPNL-MSOLQXFVSA-N 1 1 463.583 -0.147 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001554451364 1069161580 /nfs/dbraw/zinc/16/15/80/1069161580.db2.gz FPCWLQAPEVFPNL-QZTJIDSGSA-N 1 1 463.583 -0.147 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001554451365 1069161471 /nfs/dbraw/zinc/16/14/71/1069161471.db2.gz FPCWLQAPEVFPNL-ROUUACIJSA-N 1 1 463.583 -0.147 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001554451366 1069161559 /nfs/dbraw/zinc/16/15/59/1069161559.db2.gz FPCWLQAPEVFPNL-ZWKOTPCHSA-N 1 1 463.583 -0.147 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001554452216 1069161510 /nfs/dbraw/zinc/16/15/10/1069161510.db2.gz WNSWTURSPWFWFG-MOPGFXCFSA-N 1 1 460.583 -0.062 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001554452218 1069161408 /nfs/dbraw/zinc/16/14/08/1069161408.db2.gz WNSWTURSPWFWFG-OALUTQOASA-N 1 1 460.583 -0.062 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001554452220 1069161432 /nfs/dbraw/zinc/16/14/32/1069161432.db2.gz WNSWTURSPWFWFG-RBUKOAKNSA-N 1 1 460.583 -0.062 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001554452222 1069161644 /nfs/dbraw/zinc/16/16/44/1069161644.db2.gz WNSWTURSPWFWFG-RTBURBONSA-N 1 1 460.583 -0.062 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001554453790 1069162261 /nfs/dbraw/zinc/16/22/61/1069162261.db2.gz OHSXHHAZPBIQGI-HCXYKTFWSA-N 1 1 466.583 -0.078 20 0 JBADMO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001554453791 1069162466 /nfs/dbraw/zinc/16/24/66/1069162466.db2.gz OHSXHHAZPBIQGI-OKYOBFRVSA-N 1 1 466.583 -0.078 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001554453792 1069162412 /nfs/dbraw/zinc/16/24/12/1069162412.db2.gz OHSXHHAZPBIQGI-VJANTYMQSA-N 1 1 466.583 -0.078 20 0 JBADMO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001554453793 1069162221 /nfs/dbraw/zinc/16/22/21/1069162221.db2.gz OHSXHHAZPBIQGI-XWSJACJDSA-N 1 1 466.583 -0.078 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001554457633 1069163112 /nfs/dbraw/zinc/16/31/12/1069163112.db2.gz VSNPGDFCKISGSL-JXFKEZNVSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001554457633 1069163103 /nfs/dbraw/zinc/16/31/03/1069163103.db2.gz VSNPGDFCKISGSL-JXFKEZNVSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001554457634 1069163081 /nfs/dbraw/zinc/16/30/81/1069163081.db2.gz VSNPGDFCKISGSL-OXJNMPFZSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001554457634 1069163071 /nfs/dbraw/zinc/16/30/71/1069163071.db2.gz VSNPGDFCKISGSL-OXJNMPFZSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001554457635 1069162917 /nfs/dbraw/zinc/16/29/17/1069162917.db2.gz VSNPGDFCKISGSL-OXQOHEQNSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001554457635 1069162911 /nfs/dbraw/zinc/16/29/11/1069162911.db2.gz VSNPGDFCKISGSL-OXQOHEQNSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001554457636 1069162874 /nfs/dbraw/zinc/16/28/74/1069162874.db2.gz VSNPGDFCKISGSL-UZLBHIALSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001554457636 1069162870 /nfs/dbraw/zinc/16/28/70/1069162870.db2.gz VSNPGDFCKISGSL-UZLBHIALSA-N 1 1 454.597 -0.401 20 0 JBADMO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cc[nH+]c1C ZINC001554474825 1069164975 /nfs/dbraw/zinc/16/49/75/1069164975.db2.gz XBFLMBIEYHUHEZ-INIZCTEOSA-N 1 1 468.584 -0.221 20 0 JBADMO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cc[nH+]c1C ZINC001554474832 1069164960 /nfs/dbraw/zinc/16/49/60/1069164960.db2.gz XBFLMBIEYHUHEZ-MRXNPFEDSA-N 1 1 468.584 -0.221 20 0 JBADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001554477438 1069165027 /nfs/dbraw/zinc/16/50/27/1069165027.db2.gz CRQLWEGBZDFGMK-HNNXBMFYSA-N 1 1 481.627 -0.303 20 0 JBADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001554477442 1069165037 /nfs/dbraw/zinc/16/50/37/1069165037.db2.gz CRQLWEGBZDFGMK-OAHLLOKOSA-N 1 1 481.627 -0.303 20 0 JBADMO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001554489350 1069167172 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ZINC001554496094 1069168381 /nfs/dbraw/zinc/16/83/81/1069168381.db2.gz HNDIOZSWVFOSKU-WBVHZDCISA-N 1 1 484.627 -0.445 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)CCCOC)CC1 ZINC001554497087 1069168927 /nfs/dbraw/zinc/16/89/27/1069168927.db2.gz ZLIAFXGWUFNPER-INIZCTEOSA-N 1 1 457.601 -0.390 20 0 JBADMO CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)CCCOC)CC1 ZINC001554497089 1069168835 /nfs/dbraw/zinc/16/88/35/1069168835.db2.gz ZLIAFXGWUFNPER-MRXNPFEDSA-N 1 1 457.601 -0.390 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001554500913 1069169765 /nfs/dbraw/zinc/16/97/65/1069169765.db2.gz IANMSWOLBHTBJA-UHFFFAOYSA-N 1 1 479.611 -0.491 20 0 JBADMO CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)c1 ZINC001554501208 1069169732 /nfs/dbraw/zinc/16/97/32/1069169732.db2.gz KAMVAWDKXDHHBH-KRWDZBQOSA-N 1 1 477.591 -0.107 20 0 JBADMO CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)c1 ZINC001554501208 1069169725 /nfs/dbraw/zinc/16/97/25/1069169725.db2.gz KAMVAWDKXDHHBH-KRWDZBQOSA-N 1 1 477.591 -0.107 20 0 JBADMO CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCOC[C@H]3C2)c1 ZINC001554501209 1069169838 /nfs/dbraw/zinc/16/98/38/1069169838.db2.gz KAMVAWDKXDHHBH-QGZVFWFLSA-N 1 1 477.591 -0.107 20 0 JBADMO CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)c1 ZINC001554501209 1069169831 /nfs/dbraw/zinc/16/98/31/1069169831.db2.gz KAMVAWDKXDHHBH-QGZVFWFLSA-N 1 1 477.591 -0.107 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001554501664 1069170386 /nfs/dbraw/zinc/17/03/86/1069170386.db2.gz USKHSBVJKAHLRK-IBGZPJMESA-N 1 1 455.585 -0.636 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001554501667 1069170439 /nfs/dbraw/zinc/17/04/39/1069170439.db2.gz USKHSBVJKAHLRK-LJQANCHMSA-N 1 1 455.585 -0.636 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001554501714 1069170396 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/nfs/dbraw/zinc/17/32/30/1069173230.db2.gz QTMSFBQBEWUVOS-HNNXBMFYSA-N 1 1 457.601 -0.427 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001554508038 1069173198 /nfs/dbraw/zinc/17/31/98/1069173198.db2.gz QTMSFBQBEWUVOS-OAHLLOKOSA-N 1 1 457.601 -0.427 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001554508624 1069174554 /nfs/dbraw/zinc/17/45/54/1069174554.db2.gz ZBIDSRKYNFTXIX-PMACEKPBSA-N 1 1 499.682 -0.048 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001554508625 1069174489 /nfs/dbraw/zinc/17/44/89/1069174489.db2.gz ZBIDSRKYNFTXIX-UXHICEINSA-N 1 1 499.682 -0.048 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001554508626 1069174525 /nfs/dbraw/zinc/17/45/25/1069174525.db2.gz ZBIDSRKYNFTXIX-VQTJNVASSA-N 1 1 499.682 -0.048 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001554508627 1069174598 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/nfs/dbraw/zinc/17/84/32/1069178432.db2.gz GBCBNEWVFZPTFL-KZNAEPCWSA-N 1 1 493.609 -0.281 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1O ZINC001554544537 1069178585 /nfs/dbraw/zinc/17/85/85/1069178585.db2.gz NNZWZXSNHAAOQR-DSJMHWKBSA-N 1 1 458.585 -0.269 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1O ZINC001554544538 1069178351 /nfs/dbraw/zinc/17/83/51/1069178351.db2.gz NNZWZXSNHAAOQR-HLPPOEQASA-N 1 1 458.585 -0.269 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1O ZINC001554544539 1069178412 /nfs/dbraw/zinc/17/84/12/1069178412.db2.gz NNZWZXSNHAAOQR-IXYNUQLISA-N 1 1 458.585 -0.269 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1O ZINC001554544540 1069178601 /nfs/dbraw/zinc/17/86/01/1069178601.db2.gz NNZWZXSNHAAOQR-TTZDDIAXSA-N 1 1 458.585 -0.269 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1O ZINC001554546535 1069178305 /nfs/dbraw/zinc/17/83/05/1069178305.db2.gz CQFQAVHKADNBJU-BRSBDYLESA-N 1 1 491.593 -0.468 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1O ZINC001554546538 1069178255 /nfs/dbraw/zinc/17/82/55/1069178255.db2.gz CQFQAVHKADNBJU-VSZNYVQBSA-N 1 1 491.593 -0.468 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1O ZINC001554546540 1069178499 /nfs/dbraw/zinc/17/84/99/1069178499.db2.gz CQFQAVHKADNBJU-XMTFNYHQSA-N 1 1 491.593 -0.468 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1O ZINC001554546542 1069178332 /nfs/dbraw/zinc/17/83/32/1069178332.db2.gz CQFQAVHKADNBJU-ZJPYXAASSA-N 1 1 491.593 -0.468 20 0 JBADMO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1O ZINC001554546583 1069178373 /nfs/dbraw/zinc/17/83/73/1069178373.db2.gz 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ATURAWNTAKNRLM-DNVCBOLYSA-N 1 1 460.601 -0.413 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCOC1 ZINC001611671579 1069399369 /nfs/dbraw/zinc/39/93/69/1069399369.db2.gz ATURAWNTAKNRLM-DNVCBOLYSA-N 1 1 460.601 -0.413 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCOC1 ZINC001611671580 1069400024 /nfs/dbraw/zinc/40/00/24/1069400024.db2.gz ATURAWNTAKNRLM-HNAYVOBHSA-N 1 1 460.601 -0.413 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCOC1 ZINC001611671580 1069400016 /nfs/dbraw/zinc/40/00/16/1069400016.db2.gz ATURAWNTAKNRLM-HNAYVOBHSA-N 1 1 460.601 -0.413 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCOC1 ZINC001611671581 1069399763 /nfs/dbraw/zinc/39/97/63/1069399763.db2.gz ATURAWNTAKNRLM-KXBFYZLASA-N 1 1 460.601 -0.413 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCOC1 ZINC001611671581 1069399751 /nfs/dbraw/zinc/39/97/51/1069399751.db2.gz ATURAWNTAKNRLM-KXBFYZLASA-N 1 1 460.601 -0.413 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611673986 1069401038 /nfs/dbraw/zinc/40/10/38/1069401038.db2.gz UMHTYCZFFHENTA-IKGGRYGDSA-N 1 1 498.654 -0.502 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611673987 1069400949 /nfs/dbraw/zinc/40/09/49/1069400949.db2.gz UMHTYCZFFHENTA-IXDOHACOSA-N 1 1 498.654 -0.502 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611673988 1069401089 /nfs/dbraw/zinc/40/10/89/1069401089.db2.gz UMHTYCZFFHENTA-ULQDDVLXSA-N 1 1 498.654 -0.502 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611673989 1069400976 /nfs/dbraw/zinc/40/09/76/1069400976.db2.gz UMHTYCZFFHENTA-YESZJQIVSA-N 1 1 498.654 -0.502 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1COCCO1 ZINC001611675782 1069401543 /nfs/dbraw/zinc/40/15/43/1069401543.db2.gz OGGMFJUMUVNWMN-LUKYLMHMSA-N 1 1 458.585 -0.539 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1COCCO1 ZINC001611675783 1069401665 /nfs/dbraw/zinc/40/16/65/1069401665.db2.gz OGGMFJUMUVNWMN-MWDXBVQZSA-N 1 1 458.585 -0.539 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H]1COCCO1 ZINC001611675784 1069401630 /nfs/dbraw/zinc/40/16/30/1069401630.db2.gz OGGMFJUMUVNWMN-NXOAAHMSSA-N 1 1 458.585 -0.539 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001611675785 1069401571 /nfs/dbraw/zinc/40/15/71/1069401571.db2.gz OGGMFJUMUVNWMN-QAETUUGQSA-N 1 1 458.585 -0.539 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001611675870 1069401566 /nfs/dbraw/zinc/40/15/66/1069401566.db2.gz PGMYJZCZDFVIPI-QXAKKESOSA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001611675871 1069401681 /nfs/dbraw/zinc/40/16/81/1069401681.db2.gz PGMYJZCZDFVIPI-UHOSZYNNSA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001611675872 1069401756 /nfs/dbraw/zinc/40/17/56/1069401756.db2.gz PGMYJZCZDFVIPI-WDSOQIARSA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001611675873 1069401589 /nfs/dbraw/zinc/40/15/89/1069401589.db2.gz PGMYJZCZDFVIPI-YTQUADARSA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611675998 1069401699 /nfs/dbraw/zinc/40/16/99/1069401699.db2.gz RJSQTDILJLUYCP-ARFHVFGLSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611675999 1069401561 /nfs/dbraw/zinc/40/15/61/1069401561.db2.gz RJSQTDILJLUYCP-HRCADAONSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611676000 1069401606 /nfs/dbraw/zinc/40/16/06/1069401606.db2.gz RJSQTDILJLUYCP-JYJNAYRXSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611676001 1069401740 /nfs/dbraw/zinc/40/17/40/1069401740.db2.gz RJSQTDILJLUYCP-XHSDSOJGSA-N 1 1 469.612 -0.286 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677168 1069402299 /nfs/dbraw/zinc/40/22/99/1069402299.db2.gz KYHHTWNAVVIHTQ-ILXRZTDVSA-N 1 1 463.630 -0.547 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677169 1069402386 /nfs/dbraw/zinc/40/23/86/1069402386.db2.gz KYHHTWNAVVIHTQ-KKUMJFAQSA-N 1 1 463.630 -0.547 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677170 1069402369 /nfs/dbraw/zinc/40/23/69/1069402369.db2.gz KYHHTWNAVVIHTQ-QLFBSQMISA-N 1 1 463.630 -0.547 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677171 1069402952 /nfs/dbraw/zinc/40/29/52/1069402952.db2.gz KYHHTWNAVVIHTQ-SOUVJXGZSA-N 1 1 463.630 -0.547 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677506 1069403006 /nfs/dbraw/zinc/40/30/06/1069403006.db2.gz QOCOZZVBGBKZFZ-HRCADAONSA-N 1 1 469.612 -0.157 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677507 1069402904 /nfs/dbraw/zinc/40/29/04/1069402904.db2.gz QOCOZZVBGBKZFZ-JYJNAYRXSA-N 1 1 469.612 -0.157 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677508 1069403042 /nfs/dbraw/zinc/40/30/42/1069403042.db2.gz QOCOZZVBGBKZFZ-OWCLPIDISA-N 1 1 469.612 -0.157 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677509 1069402934 /nfs/dbraw/zinc/40/29/34/1069402934.db2.gz QOCOZZVBGBKZFZ-PMPSAXMXSA-N 1 1 469.612 -0.157 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611678250 1069402993 /nfs/dbraw/zinc/40/29/93/1069402993.db2.gz DKHGGOAFTVJCNM-CRAIPNDOSA-N 1 1 493.656 -0.919 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611678251 1069402916 /nfs/dbraw/zinc/40/29/16/1069402916.db2.gz DKHGGOAFTVJCNM-MAUKXSAKSA-N 1 1 493.656 -0.919 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611678252 1069402968 /nfs/dbraw/zinc/40/29/68/1069402968.db2.gz DKHGGOAFTVJCNM-QAPCUYQASA-N 1 1 493.656 -0.919 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611678253 1069403726 /nfs/dbraw/zinc/40/37/26/1069403726.db2.gz DKHGGOAFTVJCNM-YJBOKZPZSA-N 1 1 493.656 -0.919 20 0 JBADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001611678600 1069403689 /nfs/dbraw/zinc/40/36/89/1069403689.db2.gz JORVSOJRVREIPC-DOTOQJQBSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001611678601 1069403825 /nfs/dbraw/zinc/40/38/25/1069403825.db2.gz JORVSOJRVREIPC-NVXWUHKLSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001611678602 1069403762 /nfs/dbraw/zinc/40/37/62/1069403762.db2.gz JORVSOJRVREIPC-RDJZCZTQSA-N 1 1 471.628 -0.053 20 0 JBADMO CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001611678603 1069403614 /nfs/dbraw/zinc/40/36/14/1069403614.db2.gz JORVSOJRVREIPC-WBVHZDCISA-N 1 1 471.628 -0.053 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611678830 1069403704 /nfs/dbraw/zinc/40/37/04/1069403704.db2.gz NLJCAMMRNABSAC-AWEZNQCLSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611678830 1069403701 /nfs/dbraw/zinc/40/37/01/1069403701.db2.gz NLJCAMMRNABSAC-AWEZNQCLSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611678831 1069403815 /nfs/dbraw/zinc/40/38/15/1069403815.db2.gz NLJCAMMRNABSAC-CQSZACIVSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611678831 1069403810 /nfs/dbraw/zinc/40/38/10/1069403810.db2.gz NLJCAMMRNABSAC-CQSZACIVSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CCO[C@@H]1C ZINC001611679076 1069403715 /nfs/dbraw/zinc/40/37/15/1069403715.db2.gz RJNWNEZLCVUMIQ-ACZWYYKOSA-N 1 1 472.612 -0.271 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CCO[C@H]1C ZINC001611679077 1069403788 /nfs/dbraw/zinc/40/37/88/1069403788.db2.gz RJNWNEZLCVUMIQ-CPLUKWAASA-N 1 1 472.612 -0.271 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CCO[C@H]1C ZINC001611679078 1069403634 /nfs/dbraw/zinc/40/36/34/1069403634.db2.gz RJNWNEZLCVUMIQ-FVCZOJIISA-N 1 1 472.612 -0.271 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001611679079 1069403751 /nfs/dbraw/zinc/40/37/51/1069403751.db2.gz RJNWNEZLCVUMIQ-JSJNYSNDSA-N 1 1 472.612 -0.271 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611680991 1069403798 /nfs/dbraw/zinc/40/37/98/1069403798.db2.gz KMFJRSPWMFTKDX-DOXZYTNZSA-N 1 1 452.585 -0.318 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611680992 1069403741 /nfs/dbraw/zinc/40/37/41/1069403741.db2.gz KMFJRSPWMFTKDX-KHYOSLBOSA-N 1 1 452.585 -0.318 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611680993 1069403673 /nfs/dbraw/zinc/40/36/73/1069403673.db2.gz KMFJRSPWMFTKDX-QMTMVMCOSA-N 1 1 452.585 -0.318 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611680994 1069403645 /nfs/dbraw/zinc/40/36/45/1069403645.db2.gz KMFJRSPWMFTKDX-YZVOILCLSA-N 1 1 452.585 -0.318 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611684019 1069403657 /nfs/dbraw/zinc/40/36/57/1069403657.db2.gz DPGCZMGRDDGALS-DOTOQJQBSA-N 1 1 494.622 -0.083 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611684020 1069404217 /nfs/dbraw/zinc/40/42/17/1069404217.db2.gz DPGCZMGRDDGALS-NVXWUHKLSA-N 1 1 494.622 -0.083 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611684021 1069404291 /nfs/dbraw/zinc/40/42/91/1069404291.db2.gz DPGCZMGRDDGALS-RDJZCZTQSA-N 1 1 494.622 -0.083 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611684022 1069404355 /nfs/dbraw/zinc/40/43/55/1069404355.db2.gz DPGCZMGRDDGALS-WBVHZDCISA-N 1 1 494.622 -0.083 20 0 JBADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@@H+](C)C1CC1 ZINC001611688508 1069404942 /nfs/dbraw/zinc/40/49/42/1069404942.db2.gz AAVBXCAJCSVOTB-KBPBESRZSA-N 1 1 477.657 -0.111 20 0 JBADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@@H+](C)C1CC1 ZINC001611688509 1069405062 /nfs/dbraw/zinc/40/50/62/1069405062.db2.gz AAVBXCAJCSVOTB-KGLIPLIRSA-N 1 1 477.657 -0.111 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001611688510 1069405072 /nfs/dbraw/zinc/40/50/72/1069405072.db2.gz AAVBXCAJCSVOTB-UONOGXRCSA-N 1 1 477.657 -0.111 20 0 JBADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@@H+](C)C1CC1 ZINC001611688511 1069404926 /nfs/dbraw/zinc/40/49/26/1069404926.db2.gz AAVBXCAJCSVOTB-ZIAGYGMSSA-N 1 1 477.657 -0.111 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611689590 1069405657 /nfs/dbraw/zinc/40/56/57/1069405657.db2.gz SYVAULVKCCQQLL-HNNXBMFYSA-N 1 1 455.585 -0.379 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611689591 1069405578 /nfs/dbraw/zinc/40/55/78/1069405578.db2.gz SYVAULVKCCQQLL-OAHLLOKOSA-N 1 1 455.585 -0.379 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611689966 1069405693 /nfs/dbraw/zinc/40/56/93/1069405693.db2.gz ABDIGZQQBQBEQL-CVEARBPZSA-N 1 1 491.684 -0.462 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611689967 1069405556 /nfs/dbraw/zinc/40/55/56/1069405556.db2.gz ABDIGZQQBQBEQL-HOTGVXAUSA-N 1 1 491.684 -0.462 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611689968 1069405734 /nfs/dbraw/zinc/40/57/34/1069405734.db2.gz ABDIGZQQBQBEQL-HZPDHXFCSA-N 1 1 491.684 -0.462 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611689969 1069405639 /nfs/dbraw/zinc/40/56/39/1069405639.db2.gz ABDIGZQQBQBEQL-JKSUJKDBSA-N 1 1 491.684 -0.462 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001611690166 1069406288 /nfs/dbraw/zinc/40/62/88/1069406288.db2.gz DVVLUYUWWNOOEU-KKUMJFAQSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001611690167 1069406245 /nfs/dbraw/zinc/40/62/45/1069406245.db2.gz DVVLUYUWWNOOEU-RRFJBIMHSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001611690168 1069406271 /nfs/dbraw/zinc/40/62/71/1069406271.db2.gz DVVLUYUWWNOOEU-SOUVJXGZSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001611690169 1069406210 /nfs/dbraw/zinc/40/62/10/1069406210.db2.gz DVVLUYUWWNOOEU-ZNMIVQPWSA-N 1 1 471.609 -0.029 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611690276 1069406318 /nfs/dbraw/zinc/40/63/18/1069406318.db2.gz GVCZAMGDLSDDAW-FOIQADDNSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611690276 1069406312 /nfs/dbraw/zinc/40/63/12/1069406312.db2.gz GVCZAMGDLSDDAW-FOIQADDNSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611690277 1069406236 /nfs/dbraw/zinc/40/62/36/1069406236.db2.gz GVCZAMGDLSDDAW-MGPUTAFESA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611690277 1069406234 /nfs/dbraw/zinc/40/62/34/1069406234.db2.gz GVCZAMGDLSDDAW-MGPUTAFESA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611690278 1069406258 /nfs/dbraw/zinc/40/62/58/1069406258.db2.gz GVCZAMGDLSDDAW-QRWLVFNGSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611690278 1069406255 /nfs/dbraw/zinc/40/62/55/1069406255.db2.gz GVCZAMGDLSDDAW-QRWLVFNGSA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611690279 1069406219 /nfs/dbraw/zinc/40/62/19/1069406219.db2.gz GVCZAMGDLSDDAW-YWZLYKJASA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611690279 1069406218 /nfs/dbraw/zinc/40/62/18/1069406218.db2.gz GVCZAMGDLSDDAW-YWZLYKJASA-N 1 1 469.612 -0.142 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001611690442 1069406304 /nfs/dbraw/zinc/40/63/04/1069406304.db2.gz JHTOSVIJWJUGPH-HNNXBMFYSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001611690443 1069406228 /nfs/dbraw/zinc/40/62/28/1069406228.db2.gz JHTOSVIJWJUGPH-OAHLLOKOSA-N 1 1 478.641 -0.376 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001611691186 1069407374 /nfs/dbraw/zinc/40/73/74/1069407374.db2.gz UNPRSJFZFYJXAR-DZKIICNBSA-N 1 1 460.626 -0.004 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001611691187 1069407406 /nfs/dbraw/zinc/40/74/06/1069407406.db2.gz UNPRSJFZFYJXAR-LZWOXQAQSA-N 1 1 460.626 -0.004 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001611691188 1069407386 /nfs/dbraw/zinc/40/73/86/1069407386.db2.gz UNPRSJFZFYJXAR-OFQRWUPVSA-N 1 1 460.626 -0.004 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001611691189 1069407434 /nfs/dbraw/zinc/40/74/34/1069407434.db2.gz UNPRSJFZFYJXAR-SQWLQELKSA-N 1 1 460.626 -0.004 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001611692824 1069408150 /nfs/dbraw/zinc/40/81/50/1069408150.db2.gz ZGLUEJXUUVSNOQ-FTRWYGJKSA-N 1 1 469.612 -0.549 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001611692825 1069408016 /nfs/dbraw/zinc/40/80/16/1069408016.db2.gz ZGLUEJXUUVSNOQ-RZQQEMMASA-N 1 1 469.612 -0.549 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001611692826 1069407963 /nfs/dbraw/zinc/40/79/63/1069407963.db2.gz ZGLUEJXUUVSNOQ-TWOQFEAHSA-N 1 1 469.612 -0.549 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001611692827 1069408118 /nfs/dbraw/zinc/40/81/18/1069408118.db2.gz ZGLUEJXUUVSNOQ-YRNRMSPPSA-N 1 1 469.612 -0.549 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611693824 1069408136 /nfs/dbraw/zinc/40/81/36/1069408136.db2.gz FJQWFWKQRHFSQH-CVEARBPZSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611693824 1069408133 /nfs/dbraw/zinc/40/81/33/1069408133.db2.gz FJQWFWKQRHFSQH-CVEARBPZSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611693824 1069408129 /nfs/dbraw/zinc/40/81/29/1069408129.db2.gz FJQWFWKQRHFSQH-CVEARBPZSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611693825 1069408044 /nfs/dbraw/zinc/40/80/44/1069408044.db2.gz FJQWFWKQRHFSQH-HOTGVXAUSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611693825 1069408038 /nfs/dbraw/zinc/40/80/38/1069408038.db2.gz FJQWFWKQRHFSQH-HOTGVXAUSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611693825 1069408033 /nfs/dbraw/zinc/40/80/33/1069408033.db2.gz FJQWFWKQRHFSQH-HOTGVXAUSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611693826 1069407990 /nfs/dbraw/zinc/40/79/90/1069407990.db2.gz FJQWFWKQRHFSQH-HZPDHXFCSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611693826 1069407987 /nfs/dbraw/zinc/40/79/87/1069407987.db2.gz FJQWFWKQRHFSQH-HZPDHXFCSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611693826 1069407981 /nfs/dbraw/zinc/40/79/81/1069407981.db2.gz FJQWFWKQRHFSQH-HZPDHXFCSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611693827 1069408093 /nfs/dbraw/zinc/40/80/93/1069408093.db2.gz FJQWFWKQRHFSQH-JKSUJKDBSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611693827 1069408088 /nfs/dbraw/zinc/40/80/88/1069408088.db2.gz FJQWFWKQRHFSQH-JKSUJKDBSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611693827 1069408083 /nfs/dbraw/zinc/40/80/83/1069408083.db2.gz FJQWFWKQRHFSQH-JKSUJKDBSA-N 1 1 470.644 -0.384 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611694492 1069408572 /nfs/dbraw/zinc/40/85/72/1069408572.db2.gz ONVIYQJJQOMATK-CABCVRRESA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611694493 1069408671 /nfs/dbraw/zinc/40/86/71/1069408671.db2.gz ONVIYQJJQOMATK-GJZGRUSLSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611694494 1069408695 /nfs/dbraw/zinc/40/86/95/1069408695.db2.gz ONVIYQJJQOMATK-HUUCEWRRSA-N 1 1 457.601 -0.299 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001611694495 1069408512 /nfs/dbraw/zinc/40/85/12/1069408512.db2.gz ONVIYQJJQOMATK-LSDHHAIUSA-N 1 1 457.601 -0.299 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)CC1 ZINC001611700441 1069409870 /nfs/dbraw/zinc/40/98/70/1069409870.db2.gz BVTYYFJWMBBJLX-AWEZNQCLSA-N 1 1 451.619 -0.642 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)CC1 ZINC001611700442 1069409918 /nfs/dbraw/zinc/40/99/18/1069409918.db2.gz BVTYYFJWMBBJLX-CQSZACIVSA-N 1 1 451.619 -0.642 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001611700443 1069409833 /nfs/dbraw/zinc/40/98/33/1069409833.db2.gz BXBRMMOWHYDQIP-INIZCTEOSA-N 1 1 477.657 -0.156 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001611700444 1069409805 /nfs/dbraw/zinc/40/98/05/1069409805.db2.gz BXBRMMOWHYDQIP-MRXNPFEDSA-N 1 1 477.657 -0.156 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701267 1069409711 /nfs/dbraw/zinc/40/97/11/1069409711.db2.gz RPOVVHUMPWMUTQ-CRAIPNDOSA-N 1 1 478.641 -0.642 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701268 1069409940 /nfs/dbraw/zinc/40/99/40/1069409940.db2.gz RPOVVHUMPWMUTQ-MAUKXSAKSA-N 1 1 478.641 -0.642 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701269 1069409771 /nfs/dbraw/zinc/40/97/71/1069409771.db2.gz RPOVVHUMPWMUTQ-QAPCUYQASA-N 1 1 478.641 -0.642 20 0 JBADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701270 1069409751 /nfs/dbraw/zinc/40/97/51/1069409751.db2.gz RPOVVHUMPWMUTQ-YJBOKZPZSA-N 1 1 478.641 -0.642 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611702439 1069410651 /nfs/dbraw/zinc/41/06/51/1069410651.db2.gz AMCHWMWCPOGLTD-BBTUJRGHSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611702439 1069410643 /nfs/dbraw/zinc/41/06/43/1069410643.db2.gz AMCHWMWCPOGLTD-BBTUJRGHSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611702440 1069410713 /nfs/dbraw/zinc/41/07/13/1069410713.db2.gz AMCHWMWCPOGLTD-LQWHRVPQSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611702440 1069410705 /nfs/dbraw/zinc/41/07/05/1069410705.db2.gz AMCHWMWCPOGLTD-LQWHRVPQSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611702441 1069410559 /nfs/dbraw/zinc/41/05/59/1069410559.db2.gz AMCHWMWCPOGLTD-LVCYWYKZSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611702441 1069410554 /nfs/dbraw/zinc/41/05/54/1069410554.db2.gz AMCHWMWCPOGLTD-LVCYWYKZSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611702442 1069410408 /nfs/dbraw/zinc/41/04/08/1069410408.db2.gz AMCHWMWCPOGLTD-WFXMLNOXSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611702442 1069410402 /nfs/dbraw/zinc/41/04/02/1069410402.db2.gz AMCHWMWCPOGLTD-WFXMLNOXSA-N 1 1 485.655 -0.497 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)O ZINC001611702467 1069410476 /nfs/dbraw/zinc/41/04/76/1069410476.db2.gz BHUPDDMZKAERRR-CABCVRRESA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)O ZINC001611702468 1069410571 /nfs/dbraw/zinc/41/05/71/1069410571.db2.gz BHUPDDMZKAERRR-GJZGRUSLSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)O ZINC001611702469 1069410442 /nfs/dbraw/zinc/41/04/42/1069410442.db2.gz BHUPDDMZKAERRR-HUUCEWRRSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)O ZINC001611702470 1069410304 /nfs/dbraw/zinc/41/03/04/1069410304.db2.gz BHUPDDMZKAERRR-LSDHHAIUSA-N 1 1 457.601 -0.598 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CC1 ZINC001611702917 1069411694 /nfs/dbraw/zinc/41/16/94/1069411694.db2.gz LCXFDPPNNUNZRF-INIZCTEOSA-N 1 1 469.612 -0.452 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CC1 ZINC001611702917 1069411687 /nfs/dbraw/zinc/41/16/87/1069411687.db2.gz LCXFDPPNNUNZRF-INIZCTEOSA-N 1 1 469.612 -0.452 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CC1 ZINC001611702918 1069411968 /nfs/dbraw/zinc/41/19/68/1069411968.db2.gz LCXFDPPNNUNZRF-MRXNPFEDSA-N 1 1 469.612 -0.452 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CC1 ZINC001611702918 1069411961 /nfs/dbraw/zinc/41/19/61/1069411961.db2.gz LCXFDPPNNUNZRF-MRXNPFEDSA-N 1 1 469.612 -0.452 20 0 JBADMO CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001611703271 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703582 1069413366 /nfs/dbraw/zinc/41/33/66/1069413366.db2.gz YDDVCWLNKLTMFX-AEFFLSMTSA-N 1 1 493.638 -0.393 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703583 1069413202 /nfs/dbraw/zinc/41/32/02/1069413202.db2.gz YDDVCWLNKLTMFX-FUHWJXTLSA-N 1 1 493.638 -0.393 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703584 1069413238 /nfs/dbraw/zinc/41/32/38/1069413238.db2.gz YDDVCWLNKLTMFX-SJLPKXTDSA-N 1 1 493.638 -0.393 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703585 1069413305 /nfs/dbraw/zinc/41/33/05/1069413305.db2.gz YDDVCWLNKLTMFX-WMZOPIPTSA-N 1 1 493.638 -0.393 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001611707335 1069416449 /nfs/dbraw/zinc/41/64/49/1069416449.db2.gz PEUGXPCVMIMZGN-INIZCTEOSA-N 1 1 477.595 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489.668 -0.013 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001611708693 1069417092 /nfs/dbraw/zinc/41/70/92/1069417092.db2.gz DPEMYKVPKVINPJ-RDJZCZTQSA-N 1 1 489.668 -0.013 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001611708694 1069417084 /nfs/dbraw/zinc/41/70/84/1069417084.db2.gz DPEMYKVPKVINPJ-WBVHZDCISA-N 1 1 489.668 -0.013 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611708941 1069417619 /nfs/dbraw/zinc/41/76/19/1069417619.db2.gz JEKVGOZFNQDAKV-HNNXBMFYSA-N 1 1 461.614 -0.768 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001611708942 1069417577 /nfs/dbraw/zinc/41/75/77/1069417577.db2.gz JEKVGOZFNQDAKV-OAHLLOKOSA-N 1 1 461.614 -0.768 20 0 JBADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001611708961 1069417697 /nfs/dbraw/zinc/41/76/97/1069417697.db2.gz JKJBJYURXRBNHT-HNNXBMFYSA-N 1 1 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1069422494 /nfs/dbraw/zinc/42/24/94/1069422494.db2.gz IRPLUHPMDQIYKJ-GJZGRUSLSA-N 1 1 470.600 -0.787 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611710998 1069422488 /nfs/dbraw/zinc/42/24/88/1069422488.db2.gz IRPLUHPMDQIYKJ-GJZGRUSLSA-N 1 1 470.600 -0.787 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611710999 1069422735 /nfs/dbraw/zinc/42/27/35/1069422735.db2.gz IRPLUHPMDQIYKJ-HUUCEWRRSA-N 1 1 470.600 -0.787 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611710999 1069422731 /nfs/dbraw/zinc/42/27/31/1069422731.db2.gz IRPLUHPMDQIYKJ-HUUCEWRRSA-N 1 1 470.600 -0.787 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611711000 1069423227 /nfs/dbraw/zinc/42/32/27/1069423227.db2.gz IRPLUHPMDQIYKJ-LSDHHAIUSA-N 1 1 470.600 -0.787 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611711000 1069423223 /nfs/dbraw/zinc/42/32/23/1069423223.db2.gz IRPLUHPMDQIYKJ-LSDHHAIUSA-N 1 1 470.600 -0.787 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611711337 1069423149 /nfs/dbraw/zinc/42/31/49/1069423149.db2.gz MQZLCDWIILDJTH-DLBZAZTESA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611711337 1069423143 /nfs/dbraw/zinc/42/31/43/1069423143.db2.gz MQZLCDWIILDJTH-DLBZAZTESA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611711337 1069423136 /nfs/dbraw/zinc/42/31/36/1069423136.db2.gz MQZLCDWIILDJTH-DLBZAZTESA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611711338 1069424191 /nfs/dbraw/zinc/42/41/91/1069424191.db2.gz MQZLCDWIILDJTH-IAGOWNOFSA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611711338 1069424188 /nfs/dbraw/zinc/42/41/88/1069424188.db2.gz MQZLCDWIILDJTH-IAGOWNOFSA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611711338 1069424179 /nfs/dbraw/zinc/42/41/79/1069424179.db2.gz MQZLCDWIILDJTH-IAGOWNOFSA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611711339 1069423894 /nfs/dbraw/zinc/42/38/94/1069423894.db2.gz MQZLCDWIILDJTH-IRXDYDNUSA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611711339 1069423883 /nfs/dbraw/zinc/42/38/83/1069423883.db2.gz MQZLCDWIILDJTH-IRXDYDNUSA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611711339 1069423879 /nfs/dbraw/zinc/42/38/79/1069423879.db2.gz MQZLCDWIILDJTH-IRXDYDNUSA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611711340 1069424115 /nfs/dbraw/zinc/42/41/15/1069424115.db2.gz MQZLCDWIILDJTH-SJORKVTESA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611711340 1069424106 /nfs/dbraw/zinc/42/41/06/1069424106.db2.gz MQZLCDWIILDJTH-SJORKVTESA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611711340 1069424096 /nfs/dbraw/zinc/42/40/96/1069424096.db2.gz MQZLCDWIILDJTH-SJORKVTESA-N 1 1 482.655 -0.275 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC(=O)N1CCOCC1 ZINC001611711477 1069423948 /nfs/dbraw/zinc/42/39/48/1069423948.db2.gz OSKJCTCWZROJFF-CVEARBPZSA-N 1 1 455.585 -0.578 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC(=O)N1CCOCC1 ZINC001611711478 1069424228 /nfs/dbraw/zinc/42/42/28/1069424228.db2.gz OSKJCTCWZROJFF-HOTGVXAUSA-N 1 1 455.585 -0.578 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC(=O)N1CCOCC1 ZINC001611711479 1069424151 /nfs/dbraw/zinc/42/41/51/1069424151.db2.gz OSKJCTCWZROJFF-HZPDHXFCSA-N 1 1 455.585 -0.578 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC(=O)N1CCOCC1 ZINC001611711480 1069423983 /nfs/dbraw/zinc/42/39/83/1069423983.db2.gz OSKJCTCWZROJFF-JKSUJKDBSA-N 1 1 455.585 -0.578 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611711491 1069424241 /nfs/dbraw/zinc/42/42/41/1069424241.db2.gz OZHPPADBLDOGTH-HUBLWGQQSA-N 1 1 456.491 -0.278 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611711492 1069424218 /nfs/dbraw/zinc/42/42/18/1069424218.db2.gz OZHPPADBLDOGTH-SLEUVZQESA-N 1 1 456.491 -0.278 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611711493 1069423928 /nfs/dbraw/zinc/42/39/28/1069423928.db2.gz OZHPPADBLDOGTH-YWPYICTPSA-N 1 1 456.491 -0.278 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611711494 1069424009 /nfs/dbraw/zinc/42/40/09/1069424009.db2.gz OZHPPADBLDOGTH-ZOWXZIJZSA-N 1 1 456.491 -0.278 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001611711583 1069424078 /nfs/dbraw/zinc/42/40/78/1069424078.db2.gz QMBCQNUEFMDDDY-INIZCTEOSA-N 1 1 477.591 -0.295 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001611711584 1069424047 /nfs/dbraw/zinc/42/40/47/1069424047.db2.gz QMBCQNUEFMDDDY-MRXNPFEDSA-N 1 1 477.591 -0.295 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001611711703 1069424649 /nfs/dbraw/zinc/42/46/49/1069424649.db2.gz SADWYDOXPXVAJH-DLBZAZTESA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001611711704 1069424604 /nfs/dbraw/zinc/42/46/04/1069424604.db2.gz SADWYDOXPXVAJH-IAGOWNOFSA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001611711705 1069424812 /nfs/dbraw/zinc/42/48/12/1069424812.db2.gz SADWYDOXPXVAJH-IRXDYDNUSA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001611711706 1069424761 /nfs/dbraw/zinc/42/47/61/1069424761.db2.gz SADWYDOXPXVAJH-SJORKVTESA-N 1 1 469.612 -0.188 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711735 1069424524 /nfs/dbraw/zinc/42/45/24/1069424524.db2.gz SHVBUZHLQQCYPH-DOTOQJQBSA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711735 1069424517 /nfs/dbraw/zinc/42/45/17/1069424517.db2.gz SHVBUZHLQQCYPH-DOTOQJQBSA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711736 1069424633 /nfs/dbraw/zinc/42/46/33/1069424633.db2.gz SHVBUZHLQQCYPH-NVXWUHKLSA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711736 1069424624 /nfs/dbraw/zinc/42/46/24/1069424624.db2.gz SHVBUZHLQQCYPH-NVXWUHKLSA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711737 1069424832 /nfs/dbraw/zinc/42/48/32/1069424832.db2.gz SHVBUZHLQQCYPH-RDJZCZTQSA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711737 1069424827 /nfs/dbraw/zinc/42/48/27/1069424827.db2.gz SHVBUZHLQQCYPH-RDJZCZTQSA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711738 1069424552 /nfs/dbraw/zinc/42/45/52/1069424552.db2.gz SHVBUZHLQQCYPH-WBVHZDCISA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001611711738 1069424542 /nfs/dbraw/zinc/42/45/42/1069424542.db2.gz SHVBUZHLQQCYPH-WBVHZDCISA-N 1 1 498.631 -0.139 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001611715156 1069426063 /nfs/dbraw/zinc/42/60/63/1069426063.db2.gz AURJAIMITFYBFN-CRAIPNDOSA-N 1 1 460.626 -0.067 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001611715157 1069425957 /nfs/dbraw/zinc/42/59/57/1069425957.db2.gz AURJAIMITFYBFN-MAUKXSAKSA-N 1 1 460.626 -0.067 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001611715158 1069426039 /nfs/dbraw/zinc/42/60/39/1069426039.db2.gz AURJAIMITFYBFN-QAPCUYQASA-N 1 1 460.626 -0.067 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001611715159 1069425900 /nfs/dbraw/zinc/42/59/00/1069425900.db2.gz AURJAIMITFYBFN-YJBOKZPZSA-N 1 1 460.626 -0.067 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611715682 1069426711 /nfs/dbraw/zinc/42/67/11/1069426711.db2.gz KHIUYVGWMFXTTI-CVEARBPZSA-N 1 1 489.668 -0.600 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611715683 1069426566 /nfs/dbraw/zinc/42/65/66/1069426566.db2.gz KHIUYVGWMFXTTI-HOTGVXAUSA-N 1 1 489.668 -0.600 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611715684 1069426602 /nfs/dbraw/zinc/42/66/02/1069426602.db2.gz KHIUYVGWMFXTTI-HZPDHXFCSA-N 1 1 489.668 -0.600 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611715685 1069426681 /nfs/dbraw/zinc/42/66/81/1069426681.db2.gz KHIUYVGWMFXTTI-JKSUJKDBSA-N 1 1 489.668 -0.600 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611716238 1069426980 /nfs/dbraw/zinc/42/69/80/1069426980.db2.gz SLDNAGMTJVYBRC-ILRDRHFLSA-N 1 1 458.585 -0.661 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611716239 1069427240 /nfs/dbraw/zinc/42/72/40/1069427240.db2.gz SLDNAGMTJVYBRC-OSGQAZFXSA-N 1 1 458.585 -0.661 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611716240 1069427079 /nfs/dbraw/zinc/42/70/79/1069427079.db2.gz SLDNAGMTJVYBRC-QGWWYQLQSA-N 1 1 458.585 -0.661 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611716241 1069426964 /nfs/dbraw/zinc/42/69/64/1069426964.db2.gz SLDNAGMTJVYBRC-STEAMIEHSA-N 1 1 458.585 -0.661 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611716694 1069427118 /nfs/dbraw/zinc/42/71/18/1069427118.db2.gz BSJBTHLELBZYGC-KSZLIROESA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611716694 1069427111 /nfs/dbraw/zinc/42/71/11/1069427111.db2.gz BSJBTHLELBZYGC-KSZLIROESA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611716694 1069427101 /nfs/dbraw/zinc/42/71/01/1069427101.db2.gz BSJBTHLELBZYGC-KSZLIROESA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611716695 1069427674 /nfs/dbraw/zinc/42/76/74/1069427674.db2.gz BSJBTHLELBZYGC-KURKYZTESA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611716695 1069427665 /nfs/dbraw/zinc/42/76/65/1069427665.db2.gz BSJBTHLELBZYGC-KURKYZTESA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611716695 1069427661 /nfs/dbraw/zinc/42/76/61/1069427661.db2.gz BSJBTHLELBZYGC-KURKYZTESA-N 1 1 496.682 -0.123 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001611717366 1069427808 /nfs/dbraw/zinc/42/78/08/1069427808.db2.gz OINRRVSMARINBZ-BDXSIMOUSA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001611717367 1069428381 /nfs/dbraw/zinc/42/83/81/1069428381.db2.gz OINRRVSMARINBZ-MHORFTMASA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001611717368 1069428430 /nfs/dbraw/zinc/42/84/30/1069428430.db2.gz OINRRVSMARINBZ-MLHJIOFPSA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001611717369 1069428338 /nfs/dbraw/zinc/42/83/38/1069428338.db2.gz OINRRVSMARINBZ-TVFCKZIOSA-N 1 1 483.639 -0.303 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001611718695 1069428585 /nfs/dbraw/zinc/42/85/85/1069428585.db2.gz DRJGZXJPLHYBSV-LUKYLMHMSA-N 1 1 458.585 -0.313 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001611718696 1069428476 /nfs/dbraw/zinc/42/84/76/1069428476.db2.gz DRJGZXJPLHYBSV-TWMKSMIVSA-N 1 1 458.585 -0.313 20 0 JBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001611718697 1069428291 /nfs/dbraw/zinc/42/82/91/1069428291.db2.gz DRJGZXJPLHYBSV-VQHPVUNQSA-N 1 1 458.585 -0.313 20 0 JBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001611718698 1069428546 /nfs/dbraw/zinc/42/85/46/1069428546.db2.gz DRJGZXJPLHYBSV-VVLHAWIVSA-N 1 1 458.585 -0.313 20 0 JBADMO C[C@]1(C(N)=O)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001611777328 1069429058 /nfs/dbraw/zinc/42/90/58/1069429058.db2.gz YWYZLGJFUFZRKO-JXFKEZNVSA-N 1 1 467.596 -0.425 20 0 JBADMO C[C@@]1(C(N)=O)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001611777329 1069428927 /nfs/dbraw/zinc/42/89/27/1069428927.db2.gz YWYZLGJFUFZRKO-OXJNMPFZSA-N 1 1 467.596 -0.425 20 0 JBADMO C[C@@]1(C(N)=O)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001611777330 1069428962 /nfs/dbraw/zinc/42/89/62/1069428962.db2.gz YWYZLGJFUFZRKO-OXQOHEQNSA-N 1 1 467.596 -0.425 20 0 JBADMO C[C@]1(C(N)=O)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001611777331 1069429017 /nfs/dbraw/zinc/42/90/17/1069429017.db2.gz YWYZLGJFUFZRKO-UZLBHIALSA-N 1 1 467.596 -0.425 20 0 JBADMO CC1(C)COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001611800346 1069429645 /nfs/dbraw/zinc/42/96/45/1069429645.db2.gz WIPWILLXUUTBGT-INIZCTEOSA-N 1 1 469.612 -0.188 20 0 JBADMO CC1(C)COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001611800346 1069429637 /nfs/dbraw/zinc/42/96/37/1069429637.db2.gz WIPWILLXUUTBGT-INIZCTEOSA-N 1 1 469.612 -0.188 20 0 JBADMO CC1(C)COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001611800347 1069429759 /nfs/dbraw/zinc/42/97/59/1069429759.db2.gz WIPWILLXUUTBGT-MRXNPFEDSA-N 1 1 469.612 -0.188 20 0 JBADMO CC1(C)COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001611800347 1069429754 /nfs/dbraw/zinc/42/97/54/1069429754.db2.gz WIPWILLXUUTBGT-MRXNPFEDSA-N 1 1 469.612 -0.188 20 0 JBADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)c(=O)n1C ZINC001612071923 1069431565 /nfs/dbraw/zinc/43/15/65/1069431565.db2.gz QLYBIYQLFJTKRD-DOTOQJQBSA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)c(=O)n1C ZINC001612071923 1069431558 /nfs/dbraw/zinc/43/15/58/1069431558.db2.gz QLYBIYQLFJTKRD-DOTOQJQBSA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)c(=O)n1C ZINC001612071924 1069431509 /nfs/dbraw/zinc/43/15/09/1069431509.db2.gz QLYBIYQLFJTKRD-NVXWUHKLSA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)c(=O)n1C ZINC001612071924 1069431504 /nfs/dbraw/zinc/43/15/04/1069431504.db2.gz QLYBIYQLFJTKRD-NVXWUHKLSA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)c(=O)n1C ZINC001612071925 1069431428 /nfs/dbraw/zinc/43/14/28/1069431428.db2.gz QLYBIYQLFJTKRD-RDJZCZTQSA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)c(=O)n1C ZINC001612071925 1069431421 /nfs/dbraw/zinc/43/14/21/1069431421.db2.gz QLYBIYQLFJTKRD-RDJZCZTQSA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)c(=O)n1C ZINC001612071926 1069431377 /nfs/dbraw/zinc/43/13/77/1069431377.db2.gz QLYBIYQLFJTKRD-WBVHZDCISA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)c(=O)n1C ZINC001612071926 1069431366 /nfs/dbraw/zinc/43/13/66/1069431366.db2.gz QLYBIYQLFJTKRD-WBVHZDCISA-N 1 1 465.580 -0.535 20 0 JBADMO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC001612419294 1069434688 /nfs/dbraw/zinc/43/46/88/1069434688.db2.gz WTIWYJLSLBTPSJ-GDBMZVCRSA-N 1 1 467.600 -0.284 20 0 JBADMO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC001612419295 1069434572 /nfs/dbraw/zinc/43/45/72/1069434572.db2.gz WTIWYJLSLBTPSJ-GOEBONIOSA-N 1 1 467.600 -0.284 20 0 JBADMO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC001612419296 1069434495 /nfs/dbraw/zinc/43/44/95/1069434495.db2.gz WTIWYJLSLBTPSJ-HOCLYGCPSA-N 1 1 467.600 -0.284 20 0 JBADMO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC001612419297 1069434628 /nfs/dbraw/zinc/43/46/28/1069434628.db2.gz WTIWYJLSLBTPSJ-ZBFHGGJFSA-N 1 1 467.600 -0.284 20 0 JBADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)cn1 ZINC001612440780 1069435282 /nfs/dbraw/zinc/43/52/82/1069435282.db2.gz VDVKFONUGORHBE-CYBMUJFWSA-N 1 1 459.536 -0.238 20 0 JBADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)cn1 ZINC001612440781 1069435043 /nfs/dbraw/zinc/43/50/43/1069435043.db2.gz VDVKFONUGORHBE-ZDUSSCGKSA-N 1 1 459.536 -0.238 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001612493556 1069436226 /nfs/dbraw/zinc/43/62/26/1069436226.db2.gz YXALKPDVQVDWNC-NRFANRHFSA-N 1 1 480.639 -0.028 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001612493557 1069436416 /nfs/dbraw/zinc/43/64/16/1069436416.db2.gz YXALKPDVQVDWNC-OAQYLSRUSA-N 1 1 480.639 -0.028 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612501775 1069436831 /nfs/dbraw/zinc/43/68/31/1069436831.db2.gz ARQXWUVREVWMRH-KRWDZBQOSA-N 1 1 452.585 -0.400 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612501775 1069436825 /nfs/dbraw/zinc/43/68/25/1069436825.db2.gz ARQXWUVREVWMRH-KRWDZBQOSA-N 1 1 452.585 -0.400 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612501776 1069436886 /nfs/dbraw/zinc/43/68/86/1069436886.db2.gz ARQXWUVREVWMRH-QGZVFWFLSA-N 1 1 452.585 -0.400 20 0 JBADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612501776 1069436879 /nfs/dbraw/zinc/43/68/79/1069436879.db2.gz ARQXWUVREVWMRH-QGZVFWFLSA-N 1 1 452.585 -0.400 20 0 JBADMO Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001612590978 1069438193 /nfs/dbraw/zinc/43/81/93/1069438193.db2.gz IVFVFHISFZTVTQ-UHFFFAOYSA-N 1 1 480.595 -0.171 20 0 JBADMO Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001612590978 1069438187 /nfs/dbraw/zinc/43/81/87/1069438187.db2.gz IVFVFHISFZTVTQ-UHFFFAOYSA-N 1 1 480.595 -0.171 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001612592956 1069438166 /nfs/dbraw/zinc/43/81/66/1069438166.db2.gz YGPQJKRRRQKDAO-NRFANRHFSA-N 1 1 465.624 -0.032 20 0 JBADMO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001612592958 1069438116 /nfs/dbraw/zinc/43/81/16/1069438116.db2.gz YGPQJKRRRQKDAO-OAQYLSRUSA-N 1 1 465.624 -0.032 20 0 JBADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+](C)C1CC1 ZINC001612655413 1069440882 /nfs/dbraw/zinc/44/08/82/1069440882.db2.gz FGDYMKSRACBPGT-BFYDXBDKSA-N 1 1 469.612 -0.239 20 0 JBADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+](C)C1CC1 ZINC001612655414 1069440858 /nfs/dbraw/zinc/44/08/58/1069440858.db2.gz FGDYMKSRACBPGT-INMHGKMJSA-N 1 1 469.612 -0.239 20 0 JBADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+](C)C1CC1 ZINC001612655415 1069440794 /nfs/dbraw/zinc/44/07/94/1069440794.db2.gz FGDYMKSRACBPGT-UXLLHSPISA-N 1 1 469.612 -0.239 20 0 JBADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+](C)C1CC1 ZINC001612655416 1069440709 /nfs/dbraw/zinc/44/07/09/1069440709.db2.gz FGDYMKSRACBPGT-ZMSDIMECSA-N 1 1 469.612 -0.239 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001612817188 1069442591 /nfs/dbraw/zinc/44/25/91/1069442591.db2.gz HULFZEUWAWGKAJ-CVEARBPZSA-N 1 1 493.656 -0.919 20 0 JBADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001612817197 1069442661 /nfs/dbraw/zinc/44/26/61/1069442661.db2.gz HULFZEUWAWGKAJ-HOTGVXAUSA-N 1 1 493.656 -0.919 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001612817199 1069442740 /nfs/dbraw/zinc/44/27/40/1069442740.db2.gz HULFZEUWAWGKAJ-HZPDHXFCSA-N 1 1 493.656 -0.919 20 0 JBADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001612817203 1069442719 /nfs/dbraw/zinc/44/27/19/1069442719.db2.gz HULFZEUWAWGKAJ-JKSUJKDBSA-N 1 1 493.656 -0.919 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001612817495 1069442650 /nfs/dbraw/zinc/44/26/50/1069442650.db2.gz JPHFQFPLDAPDDU-BRWVUGGUSA-N 1 1 469.612 -0.238 20 0 JBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001612817498 1069442692 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CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001613444268 1069455064 /nfs/dbraw/zinc/45/50/64/1069455064.db2.gz DOJOPMTWCBEQQE-NPPFBWRTSA-N 1 1 497.666 -0.717 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001613444268 1069455059 /nfs/dbraw/zinc/45/50/59/1069455059.db2.gz DOJOPMTWCBEQQE-NPPFBWRTSA-N 1 1 497.666 -0.717 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001613444269 1069454929 /nfs/dbraw/zinc/45/49/29/1069454929.db2.gz DOJOPMTWCBEQQE-SPEDKVCISA-N 1 1 497.666 -0.717 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001613444269 1069454928 /nfs/dbraw/zinc/45/49/28/1069454928.db2.gz DOJOPMTWCBEQQE-SPEDKVCISA-N 1 1 497.666 -0.717 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001613444270 1069454964 /nfs/dbraw/zinc/45/49/64/1069454964.db2.gz DOJOPMTWCBEQQE-SVMVAKDDSA-N 1 1 497.666 -0.717 20 0 JBADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001613444270 1069454956 /nfs/dbraw/zinc/45/49/56/1069454956.db2.gz DOJOPMTWCBEQQE-SVMVAKDDSA-N 1 1 497.666 -0.717 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001613539356 1069456796 /nfs/dbraw/zinc/45/67/96/1069456796.db2.gz ZEIYJSNQYXMOOZ-DOTOQJQBSA-N 1 1 471.628 -0.097 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001613539357 1069457026 /nfs/dbraw/zinc/45/70/26/1069457026.db2.gz ZEIYJSNQYXMOOZ-NVXWUHKLSA-N 1 1 471.628 -0.097 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCNS(C)(=O)=O ZINC001613539358 1069456921 /nfs/dbraw/zinc/45/69/21/1069456921.db2.gz ZEIYJSNQYXMOOZ-RDJZCZTQSA-N 1 1 471.628 -0.097 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001613539359 1069457070 /nfs/dbraw/zinc/45/70/70/1069457070.db2.gz ZEIYJSNQYXMOOZ-WBVHZDCISA-N 1 1 471.628 -0.097 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613583248 1069457691 /nfs/dbraw/zinc/45/76/91/1069457691.db2.gz WARAPDSGBFVFCD-HSZRJFAPSA-N 1 1 492.625 -0.163 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613583250 1069457621 /nfs/dbraw/zinc/45/76/21/1069457621.db2.gz WARAPDSGBFVFCD-QHCPKHFHSA-N 1 1 492.625 -0.163 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613583528 1069457519 /nfs/dbraw/zinc/45/75/19/1069457519.db2.gz JNLYXOICUMWOGD-HSZRJFAPSA-N 1 1 492.625 -0.564 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613583529 1069457665 /nfs/dbraw/zinc/45/76/65/1069457665.db2.gz JNLYXOICUMWOGD-QHCPKHFHSA-N 1 1 492.625 -0.564 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613592924 1069458130 /nfs/dbraw/zinc/45/81/30/1069458130.db2.gz VUKDUTPBSPGUOD-AOMKIAJQSA-N 1 1 476.582 -0.264 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613592926 1069458296 /nfs/dbraw/zinc/45/82/96/1069458296.db2.gz VUKDUTPBSPGUOD-KSFYIVLOSA-N 1 1 476.582 -0.264 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613592927 1069458771 /nfs/dbraw/zinc/45/87/71/1069458771.db2.gz VUKDUTPBSPGUOD-OPAMFIHVSA-N 1 1 476.582 -0.264 20 0 JBADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613592928 1069458794 /nfs/dbraw/zinc/45/87/94/1069458794.db2.gz VUKDUTPBSPGUOD-ZHRRBRCNSA-N 1 1 476.582 -0.264 20 0 JBADMO CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001614015385 1069461012 /nfs/dbraw/zinc/46/10/12/1069461012.db2.gz JABYTAOXSYQXFT-GOSISDBHSA-N 1 1 463.583 -0.805 20 0 JBADMO CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001614015386 1069461072 /nfs/dbraw/zinc/46/10/72/1069461072.db2.gz JABYTAOXSYQXFT-SFHVURJKSA-N 1 1 463.583 -0.805 20 0 JBADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001614036621 1069461732 /nfs/dbraw/zinc/46/17/32/1069461732.db2.gz QZZMPBNEQQTVKW-GHTZIAJQSA-N 1 1 470.640 -0.379 20 0 JBADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001614036622 1069461793 /nfs/dbraw/zinc/46/17/93/1069461793.db2.gz QZZMPBNEQQTVKW-NQIIRXRSSA-N 1 1 470.640 -0.379 20 0 JBADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001614036623 1069461638 /nfs/dbraw/zinc/46/16/38/1069461638.db2.gz QZZMPBNEQQTVKW-RXVVDRJESA-N 1 1 470.640 -0.379 20 0 JBADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001614036624 1069461669 /nfs/dbraw/zinc/46/16/69/1069461669.db2.gz QZZMPBNEQQTVKW-WIYYLYMNSA-N 1 1 470.640 -0.379 20 0 JBADMO CCc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001614037611 1069461600 /nfs/dbraw/zinc/46/16/00/1069461600.db2.gz MFZUMAKTRSVYPD-IBGZPJMESA-N 1 1 452.585 -0.540 20 0 JBADMO CCc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001614037619 1069461759 /nfs/dbraw/zinc/46/17/59/1069461759.db2.gz MFZUMAKTRSVYPD-LJQANCHMSA-N 1 1 452.585 -0.540 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001614066878 1069461562 /nfs/dbraw/zinc/46/15/62/1069461562.db2.gz DSQIREVHFUBBGN-FGTMMUONSA-N 1 1 484.671 -0.123 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001614066879 1069461709 /nfs/dbraw/zinc/46/17/09/1069461709.db2.gz DSQIREVHFUBBGN-KZNAEPCWSA-N 1 1 484.671 -0.123 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001614066880 1069461817 /nfs/dbraw/zinc/46/18/17/1069461817.db2.gz DSQIREVHFUBBGN-OKZBNKHCSA-N 1 1 484.671 -0.123 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001614066881 1069461609 /nfs/dbraw/zinc/46/16/09/1069461609.db2.gz DSQIREVHFUBBGN-RCCFBDPRSA-N 1 1 484.671 -0.123 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001614075196 1069462353 /nfs/dbraw/zinc/46/23/53/1069462353.db2.gz HELUFLGMXJLQCB-DLBZAZTESA-N 1 1 467.640 -0.079 20 0 JBADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001614075200 1069462235 /nfs/dbraw/zinc/46/22/35/1069462235.db2.gz HELUFLGMXJLQCB-IAGOWNOFSA-N 1 1 467.640 -0.079 20 0 JBADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001614075202 1069462297 /nfs/dbraw/zinc/46/22/97/1069462297.db2.gz HELUFLGMXJLQCB-IRXDYDNUSA-N 1 1 467.640 -0.079 20 0 JBADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001614075204 1069462193 /nfs/dbraw/zinc/46/21/93/1069462193.db2.gz HELUFLGMXJLQCB-SJORKVTESA-N 1 1 467.640 -0.079 20 0 JBADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001614196247 1069464679 /nfs/dbraw/zinc/46/46/79/1069464679.db2.gz JIBITCVNQSCWBX-KRWDZBQOSA-N 1 1 471.628 -0.048 20 0 JBADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001614196248 1069464607 /nfs/dbraw/zinc/46/46/07/1069464607.db2.gz JIBITCVNQSCWBX-QGZVFWFLSA-N 1 1 471.628 -0.048 20 0 JBADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC001614196453 1069464569 /nfs/dbraw/zinc/46/45/69/1069464569.db2.gz LDNDGYMENLDZBG-INIZCTEOSA-N 1 1 457.601 -0.390 20 0 JBADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC001614196454 1069464517 /nfs/dbraw/zinc/46/45/17/1069464517.db2.gz LDNDGYMENLDZBG-MRXNPFEDSA-N 1 1 457.601 -0.390 20 0 JBADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC)CC[N@H+]1CCOC ZINC001614197871 1069464812 /nfs/dbraw/zinc/46/48/12/1069464812.db2.gz XGNRGRSZIQLFDN-INIZCTEOSA-N 1 1 457.601 -0.390 20 0 JBADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC)CC[N@H+]1CCOC ZINC001614197872 1069464744 /nfs/dbraw/zinc/46/47/44/1069464744.db2.gz XGNRGRSZIQLFDN-MRXNPFEDSA-N 1 1 457.601 -0.390 20 0 JBADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001614200408 1069464776 /nfs/dbraw/zinc/46/47/76/1069464776.db2.gz XBKRQQWXIWXOLM-CVEARBPZSA-N 1 1 457.601 -0.488 20 0 JBADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001614200409 1069464640 /nfs/dbraw/zinc/46/46/40/1069464640.db2.gz XBKRQQWXIWXOLM-HOTGVXAUSA-N 1 1 457.601 -0.488 20 0 JBADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001614200410 1069464596 /nfs/dbraw/zinc/46/45/96/1069464596.db2.gz XBKRQQWXIWXOLM-HZPDHXFCSA-N 1 1 457.601 -0.488 20 0 JBADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001614200411 1069464796 /nfs/dbraw/zinc/46/47/96/1069464796.db2.gz XBKRQQWXIWXOLM-JKSUJKDBSA-N 1 1 457.601 -0.488 20 0 JBADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001614230100 1069465315 /nfs/dbraw/zinc/46/53/15/1069465315.db2.gz GKSVRKDEVYIPGX-DOTOQJQBSA-N 1 1 452.585 -0.225 20 0 JBADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001614230101 1069465419 /nfs/dbraw/zinc/46/54/19/1069465419.db2.gz GKSVRKDEVYIPGX-NVXWUHKLSA-N 1 1 452.585 -0.225 20 0 JBADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001614230102 1069465456 /nfs/dbraw/zinc/46/54/56/1069465456.db2.gz GKSVRKDEVYIPGX-RDJZCZTQSA-N 1 1 452.585 -0.225 20 0 JBADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001614230103 1069465402 /nfs/dbraw/zinc/46/54/02/1069465402.db2.gz GKSVRKDEVYIPGX-WBVHZDCISA-N 1 1 452.585 -0.225 20 0 JBADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001614231592 1069465390 /nfs/dbraw/zinc/46/53/90/1069465390.db2.gz HTZPAIHRSDIOFB-DOTOQJQBSA-N 1 1 450.569 -0.169 20 0 JBADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001614231593 1069465473 /nfs/dbraw/zinc/46/54/73/1069465473.db2.gz HTZPAIHRSDIOFB-NVXWUHKLSA-N 1 1 450.569 -0.169 20 0 JBADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001614231594 1069465489 /nfs/dbraw/zinc/46/54/89/1069465489.db2.gz HTZPAIHRSDIOFB-RDJZCZTQSA-N 1 1 450.569 -0.169 20 0 JBADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001614231595 1069465361 /nfs/dbraw/zinc/46/53/61/1069465361.db2.gz HTZPAIHRSDIOFB-WBVHZDCISA-N 1 1 450.569 -0.169 20 0 JBADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001614257060 1069466694 /nfs/dbraw/zinc/46/66/94/1069466694.db2.gz DFHFMHIOULFGOP-MSOLQXFVSA-N 1 1 483.639 -0.113 20 0 JBADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001614257061 1069466549 /nfs/dbraw/zinc/46/65/49/1069466549.db2.gz DFHFMHIOULFGOP-QZTJIDSGSA-N 1 1 483.639 -0.113 20 0 JBADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001614257062 1069466647 /nfs/dbraw/zinc/46/66/47/1069466647.db2.gz DFHFMHIOULFGOP-ROUUACIJSA-N 1 1 483.639 -0.113 20 0 JBADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001614257063 1069466717 /nfs/dbraw/zinc/46/67/17/1069466717.db2.gz DFHFMHIOULFGOP-ZWKOTPCHSA-N 1 1 483.639 -0.113 20 0 JBADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001614257216 1069466623 /nfs/dbraw/zinc/46/66/23/1069466623.db2.gz GRNIHGXCUGIVFW-GOSISDBHSA-N 1 1 498.650 -0.113 20 0 JBADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001614257217 1069466745 /nfs/dbraw/zinc/46/67/45/1069466745.db2.gz GRNIHGXCUGIVFW-SFHVURJKSA-N 1 1 498.650 -0.113 20 0 JBADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001614498787 1069469165 /nfs/dbraw/zinc/46/91/65/1069469165.db2.gz YTPQHAVNFROSRR-INIZCTEOSA-N 1 1 469.550 -0.196 20 0 JBADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001614498788 1069468963 /nfs/dbraw/zinc/46/89/63/1069468963.db2.gz YTPQHAVNFROSRR-MRXNPFEDSA-N 1 1 469.550 -0.196 20 0 JBADMO CCCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001614502394 1069469091 /nfs/dbraw/zinc/46/90/91/1069469091.db2.gz GDWRUZZWYAOMKX-KRWDZBQOSA-N 1 1 486.643 -0.196 20 0 JBADMO CCCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001614502395 1069468972 /nfs/dbraw/zinc/46/89/72/1069468972.db2.gz GDWRUZZWYAOMKX-QGZVFWFLSA-N 1 1 486.643 -0.196 20 0 JBADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001614502771 1069469247 /nfs/dbraw/zinc/46/92/47/1069469247.db2.gz NSCADNWQJAALJC-INIZCTEOSA-N 1 1 462.642 -0.006 20 0 JBADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001614502772 1069469108 /nfs/dbraw/zinc/46/91/08/1069469108.db2.gz NSCADNWQJAALJC-MRXNPFEDSA-N 1 1 462.642 -0.006 20 0 JBADMO 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OLXPSNMBNOWAGG-DLBZAZTESA-N 1 1 482.655 -0.275 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001615837473 1069496689 /nfs/dbraw/zinc/49/66/89/1069496689.db2.gz OLXPSNMBNOWAGG-IAGOWNOFSA-N 1 1 482.655 -0.275 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001615837474 1069496708 /nfs/dbraw/zinc/49/67/08/1069496708.db2.gz OLXPSNMBNOWAGG-IRXDYDNUSA-N 1 1 482.655 -0.275 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001615837475 1069496496 /nfs/dbraw/zinc/49/64/96/1069496496.db2.gz OLXPSNMBNOWAGG-SJORKVTESA-N 1 1 482.655 -0.275 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)CC1 ZINC001615839086 1069496569 /nfs/dbraw/zinc/49/65/69/1069496569.db2.gz VJWUGACPIMXJTF-CBGDNZLLSA-N 1 1 498.654 -0.055 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)CC1 ZINC001615839090 1069496658 /nfs/dbraw/zinc/49/66/58/1069496658.db2.gz VJWUGACPIMXJTF-LLGFUMIMSA-N 1 1 498.654 -0.055 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)CC1 ZINC001615839093 1069496761 /nfs/dbraw/zinc/49/67/61/1069496761.db2.gz VJWUGACPIMXJTF-LZJOCLMNSA-N 1 1 498.654 -0.055 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)CC1 ZINC001615839098 1069496438 /nfs/dbraw/zinc/49/64/38/1069496438.db2.gz VJWUGACPIMXJTF-WWMYMODYSA-N 1 1 498.654 -0.055 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615842117 1069496530 /nfs/dbraw/zinc/49/65/30/1069496530.db2.gz KCPDIDKNGLHSRH-GOSISDBHSA-N 1 1 459.599 0.000 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615842123 1069496732 /nfs/dbraw/zinc/49/67/32/1069496732.db2.gz KCPDIDKNGLHSRH-SFHVURJKSA-N 1 1 459.599 0.000 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615844290 1069496375 /nfs/dbraw/zinc/49/63/75/1069496375.db2.gz DMEIEKAROPGPKG-MOPGFXCFSA-N 1 1 496.682 -0.103 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615844291 1069496745 /nfs/dbraw/zinc/49/67/45/1069496745.db2.gz DMEIEKAROPGPKG-OALUTQOASA-N 1 1 496.682 -0.103 20 0 JBADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001615846112 1069497527 /nfs/dbraw/zinc/49/75/27/1069497527.db2.gz VUQMGGDDRKCIHZ-FQEVSTJZSA-N 1 1 489.669 -0.363 20 0 JBADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001615846114 1069497346 /nfs/dbraw/zinc/49/73/46/1069497346.db2.gz VUQMGGDDRKCIHZ-HXUWFJFHSA-N 1 1 489.669 -0.363 20 0 JBADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001615847673 1069497451 /nfs/dbraw/zinc/49/74/51/1069497451.db2.gz HKMIKWNKTACSJU-INIZCTEOSA-N 1 1 454.597 -0.016 20 0 JBADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001615847674 1069497426 /nfs/dbraw/zinc/49/74/26/1069497426.db2.gz HKMIKWNKTACSJU-MRXNPFEDSA-N 1 1 454.597 -0.016 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001615848358 1069497576 /nfs/dbraw/zinc/49/75/76/1069497576.db2.gz IPQSTGSUEAYGOZ-CABCVRRESA-N 1 1 465.646 -0.254 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001615848360 1069497588 /nfs/dbraw/zinc/49/75/88/1069497588.db2.gz IPQSTGSUEAYGOZ-GJZGRUSLSA-N 1 1 465.646 -0.254 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001615848361 1069497368 /nfs/dbraw/zinc/49/73/68/1069497368.db2.gz IPQSTGSUEAYGOZ-HUUCEWRRSA-N 1 1 465.646 -0.254 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001615848362 1069497289 /nfs/dbraw/zinc/49/72/89/1069497289.db2.gz IPQSTGSUEAYGOZ-LSDHHAIUSA-N 1 1 465.646 -0.254 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615848636 1069497263 /nfs/dbraw/zinc/49/72/63/1069497263.db2.gz KIRXXYBHDYBJDO-IKGGRYGDSA-N 1 1 471.628 -0.086 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615848637 1069497472 /nfs/dbraw/zinc/49/74/72/1069497472.db2.gz KIRXXYBHDYBJDO-IXDOHACOSA-N 1 1 471.628 -0.086 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615848638 1069497381 /nfs/dbraw/zinc/49/73/81/1069497381.db2.gz KIRXXYBHDYBJDO-ULQDDVLXSA-N 1 1 471.628 -0.086 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615848639 1069497559 /nfs/dbraw/zinc/49/75/59/1069497559.db2.gz KIRXXYBHDYBJDO-YESZJQIVSA-N 1 1 471.628 -0.086 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615863698 1069497497 /nfs/dbraw/zinc/49/74/97/1069497497.db2.gz CUVSITLLQHFRIA-CVEARBPZSA-N 1 1 457.601 -0.380 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615863699 1069497237 /nfs/dbraw/zinc/49/72/37/1069497237.db2.gz CUVSITLLQHFRIA-HOTGVXAUSA-N 1 1 457.601 -0.380 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615863700 1069498288 /nfs/dbraw/zinc/49/82/88/1069498288.db2.gz CUVSITLLQHFRIA-HZPDHXFCSA-N 1 1 457.601 -0.380 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615863701 1069498090 /nfs/dbraw/zinc/49/80/90/1069498090.db2.gz CUVSITLLQHFRIA-JKSUJKDBSA-N 1 1 457.601 -0.380 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@@H]1C ZINC001615864783 1069498330 /nfs/dbraw/zinc/49/83/30/1069498330.db2.gz RRCAFURQBLHAKH-DOTOQJQBSA-N 1 1 457.601 -0.332 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@H]1C ZINC001615864784 1069498368 /nfs/dbraw/zinc/49/83/68/1069498368.db2.gz RRCAFURQBLHAKH-NVXWUHKLSA-N 1 1 457.601 -0.332 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@@H]1C ZINC001615864785 1069498057 /nfs/dbraw/zinc/49/80/57/1069498057.db2.gz RRCAFURQBLHAKH-RDJZCZTQSA-N 1 1 457.601 -0.332 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@H]1C ZINC001615864786 1069498161 /nfs/dbraw/zinc/49/81/61/1069498161.db2.gz RRCAFURQBLHAKH-WBVHZDCISA-N 1 1 457.601 -0.332 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001615864797 1069498394 /nfs/dbraw/zinc/49/83/94/1069498394.db2.gz RVOFGSOALSRKLW-CRAIPNDOSA-N 1 1 492.606 -0.316 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001615864798 1069498266 /nfs/dbraw/zinc/49/82/66/1069498266.db2.gz RVOFGSOALSRKLW-MAUKXSAKSA-N 1 1 492.606 -0.316 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001615864799 1069498448 /nfs/dbraw/zinc/49/84/48/1069498448.db2.gz RVOFGSOALSRKLW-QAPCUYQASA-N 1 1 492.606 -0.316 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001615864800 1069498071 /nfs/dbraw/zinc/49/80/71/1069498071.db2.gz RVOFGSOALSRKLW-YJBOKZPZSA-N 1 1 492.606 -0.316 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@@H]1C ZINC001615865203 1069498138 /nfs/dbraw/zinc/49/81/38/1069498138.db2.gz WUMNSQRKQUJGCH-DLBZAZTESA-N 1 1 460.601 -0.460 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@H]1C ZINC001615865204 1069498204 /nfs/dbraw/zinc/49/82/04/1069498204.db2.gz WUMNSQRKQUJGCH-IAGOWNOFSA-N 1 1 460.601 -0.460 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@@H]1C ZINC001615865205 1069498965 /nfs/dbraw/zinc/49/89/65/1069498965.db2.gz WUMNSQRKQUJGCH-IRXDYDNUSA-N 1 1 460.601 -0.460 20 0 JBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@H]1C ZINC001615865206 1069499070 /nfs/dbraw/zinc/49/90/70/1069499070.db2.gz WUMNSQRKQUJGCH-SJORKVTESA-N 1 1 460.601 -0.460 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874610 1069499001 /nfs/dbraw/zinc/49/90/01/1069499001.db2.gz GOCPUFYLACWGBY-MSOLQXFVSA-N 1 1 498.654 -0.053 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874611 1069498817 /nfs/dbraw/zinc/49/88/17/1069498817.db2.gz GOCPUFYLACWGBY-QZTJIDSGSA-N 1 1 498.654 -0.053 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874612 1069498886 /nfs/dbraw/zinc/49/88/86/1069498886.db2.gz GOCPUFYLACWGBY-ROUUACIJSA-N 1 1 498.654 -0.053 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874613 1069499086 /nfs/dbraw/zinc/49/90/86/1069499086.db2.gz GOCPUFYLACWGBY-ZWKOTPCHSA-N 1 1 498.654 -0.053 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874642 1069499043 /nfs/dbraw/zinc/49/90/43/1069499043.db2.gz HHSFSKZHLGOUOP-DLBZAZTESA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874643 1069498938 /nfs/dbraw/zinc/49/89/38/1069498938.db2.gz HHSFSKZHLGOUOP-IAGOWNOFSA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874644 1069498860 /nfs/dbraw/zinc/49/88/60/1069498860.db2.gz HHSFSKZHLGOUOP-IRXDYDNUSA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874645 1069499101 /nfs/dbraw/zinc/49/91/01/1069499101.db2.gz HHSFSKZHLGOUOP-SJORKVTESA-N 1 1 484.671 -0.123 20 0 JBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615875434 1069499709 /nfs/dbraw/zinc/49/97/09/1069499709.db2.gz GDORLDHLFSYLSH-KRWDZBQOSA-N 1 1 468.628 -0.834 20 0 JBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615875448 1069499824 /nfs/dbraw/zinc/49/98/24/1069499824.db2.gz GDORLDHLFSYLSH-QGZVFWFLSA-N 1 1 468.628 -0.834 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615879146 1069499830 /nfs/dbraw/zinc/49/98/30/1069499830.db2.gz LBZHERGWWZXBAD-BZSNNMDCSA-N 1 1 484.671 -0.171 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615879147 1069499634 /nfs/dbraw/zinc/49/96/34/1069499634.db2.gz LBZHERGWWZXBAD-KSZLIROESA-N 1 1 484.671 -0.171 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615879148 1069499833 /nfs/dbraw/zinc/49/98/33/1069499833.db2.gz LBZHERGWWZXBAD-OKZBNKHCSA-N 1 1 484.671 -0.171 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615879149 1069499795 /nfs/dbraw/zinc/49/97/95/1069499795.db2.gz LBZHERGWWZXBAD-RCCFBDPRSA-N 1 1 484.671 -0.171 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615879288 1069499764 /nfs/dbraw/zinc/49/97/64/1069499764.db2.gz NUWAXQWJCTZIEM-GOSISDBHSA-N 1 1 484.671 -0.229 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615879289 1069499836 /nfs/dbraw/zinc/49/98/36/1069499836.db2.gz NUWAXQWJCTZIEM-SFHVURJKSA-N 1 1 484.671 -0.229 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615880035 1069499745 /nfs/dbraw/zinc/49/97/45/1069499745.db2.gz BSDIHWDMKJJDCU-MOPGFXCFSA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615880036 1069499681 /nfs/dbraw/zinc/49/96/81/1069499681.db2.gz BSDIHWDMKJJDCU-OALUTQOASA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615880037 1069499827 /nfs/dbraw/zinc/49/98/27/1069499827.db2.gz BSDIHWDMKJJDCU-RBUKOAKNSA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615880038 1069499782 /nfs/dbraw/zinc/49/97/82/1069499782.db2.gz BSDIHWDMKJJDCU-RTBURBONSA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615880901 1069499817 /nfs/dbraw/zinc/49/98/17/1069499817.db2.gz PZDYBSNNEXDNCW-MOPGFXCFSA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615880902 1069500208 /nfs/dbraw/zinc/50/02/08/1069500208.db2.gz PZDYBSNNEXDNCW-OALUTQOASA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615880903 1069500348 /nfs/dbraw/zinc/50/03/48/1069500348.db2.gz PZDYBSNNEXDNCW-RBUKOAKNSA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615880904 1069500396 /nfs/dbraw/zinc/50/03/96/1069500396.db2.gz PZDYBSNNEXDNCW-RTBURBONSA-N 1 1 476.626 -0.202 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001615881388 1069500235 /nfs/dbraw/zinc/50/02/35/1069500235.db2.gz WCQQKYQRHSILOI-HKUYNNGSSA-N 1 1 476.626 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001615881397 1069500373 /nfs/dbraw/zinc/50/03/73/1069500373.db2.gz WCQQKYQRHSILOI-IEBWSBKVSA-N 1 1 476.626 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001615881398 1069500302 /nfs/dbraw/zinc/50/03/02/1069500302.db2.gz WCQQKYQRHSILOI-MJGOQNOKSA-N 1 1 476.626 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001615881399 1069500518 /nfs/dbraw/zinc/50/05/18/1069500518.db2.gz WCQQKYQRHSILOI-PKOBYXMFSA-N 1 1 476.626 -0.027 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884585 1069500559 /nfs/dbraw/zinc/50/05/59/1069500559.db2.gz CQWRMKCTIFSXSB-MSOLQXFVSA-N 1 1 460.627 -0.004 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884586 1069500446 /nfs/dbraw/zinc/50/04/46/1069500446.db2.gz CQWRMKCTIFSXSB-QZTJIDSGSA-N 1 1 460.627 -0.004 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884587 1069500143 /nfs/dbraw/zinc/50/01/43/1069500143.db2.gz CQWRMKCTIFSXSB-ROUUACIJSA-N 1 1 460.627 -0.004 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884588 1069500503 /nfs/dbraw/zinc/50/05/03/1069500503.db2.gz CQWRMKCTIFSXSB-ZWKOTPCHSA-N 1 1 460.627 -0.004 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615884938 1069500421 /nfs/dbraw/zinc/50/04/21/1069500421.db2.gz KGPQXCPAGPVUPG-MOPGFXCFSA-N 1 1 476.626 -0.375 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615884939 1069500177 /nfs/dbraw/zinc/50/01/77/1069500177.db2.gz KGPQXCPAGPVUPG-OALUTQOASA-N 1 1 476.626 -0.375 20 0 JBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615884940 1069500276 /nfs/dbraw/zinc/50/02/76/1069500276.db2.gz KGPQXCPAGPVUPG-RBUKOAKNSA-N 1 1 476.626 -0.375 20 0 JBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615884941 1069500486 /nfs/dbraw/zinc/50/04/86/1069500486.db2.gz KGPQXCPAGPVUPG-RTBURBONSA-N 1 1 476.626 -0.375 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615885180 1069500476 /nfs/dbraw/zinc/50/04/76/1069500476.db2.gz PERBVKGTWOAYRT-IBGZPJMESA-N 1 1 476.626 -0.117 20 0 JBADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615885181 1069500331 /nfs/dbraw/zinc/50/03/31/1069500331.db2.gz PERBVKGTWOAYRT-LJQANCHMSA-N 1 1 476.626 -0.117 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001615886013 1069500533 /nfs/dbraw/zinc/50/05/33/1069500533.db2.gz OSZBCYOUKLJAKD-MSOLQXFVSA-N 1 1 498.654 -0.053 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001615886014 1069500547 /nfs/dbraw/zinc/50/05/47/1069500547.db2.gz OSZBCYOUKLJAKD-QZTJIDSGSA-N 1 1 498.654 -0.053 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001615886015 1069500260 /nfs/dbraw/zinc/50/02/60/1069500260.db2.gz OSZBCYOUKLJAKD-ROUUACIJSA-N 1 1 498.654 -0.053 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001615886016 1069500906 /nfs/dbraw/zinc/50/09/06/1069500906.db2.gz OSZBCYOUKLJAKD-ZWKOTPCHSA-N 1 1 498.654 -0.053 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615887354 1069501050 /nfs/dbraw/zinc/50/10/50/1069501050.db2.gz FDMJIWBIKSSGQL-JXFKEZNVSA-N 1 1 470.644 -0.382 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615887358 1069501174 /nfs/dbraw/zinc/50/11/74/1069501174.db2.gz FDMJIWBIKSSGQL-OXJNMPFZSA-N 1 1 470.644 -0.382 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615887359 1069501032 /nfs/dbraw/zinc/50/10/32/1069501032.db2.gz FDMJIWBIKSSGQL-OXQOHEQNSA-N 1 1 470.644 -0.382 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615887360 1069501148 /nfs/dbraw/zinc/50/11/48/1069501148.db2.gz FDMJIWBIKSSGQL-UZLBHIALSA-N 1 1 470.644 -0.382 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615888338 1069500949 /nfs/dbraw/zinc/50/09/49/1069500949.db2.gz PNQMEQWWZGUBPD-KRWDZBQOSA-N 1 1 450.588 -0.605 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615888340 1069501201 /nfs/dbraw/zinc/50/12/01/1069501201.db2.gz PNQMEQWWZGUBPD-QGZVFWFLSA-N 1 1 450.588 -0.605 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615888341 1069500985 /nfs/dbraw/zinc/50/09/85/1069500985.db2.gz IHVVQAIJVRJYCZ-GOSISDBHSA-N 1 1 482.655 -0.272 20 0 JBADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615888345 1069500926 /nfs/dbraw/zinc/50/09/26/1069500926.db2.gz IHVVQAIJVRJYCZ-SFHVURJKSA-N 1 1 482.655 -0.272 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001615888641 1069501082 /nfs/dbraw/zinc/50/10/82/1069501082.db2.gz SHRKIYYQBACUNB-GOSISDBHSA-N 1 1 461.615 0.000 20 0 JBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001615888643 1069501065 /nfs/dbraw/zinc/50/10/65/1069501065.db2.gz SHRKIYYQBACUNB-SFHVURJKSA-N 1 1 461.615 0.000 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001615889049 1069501160 /nfs/dbraw/zinc/50/11/60/1069501160.db2.gz VWLOCJDIZCILTP-GHTZIAJQSA-N 1 1 485.655 -0.088 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001615889051 1069501011 /nfs/dbraw/zinc/50/10/11/1069501011.db2.gz VWLOCJDIZCILTP-NQIIRXRSSA-N 1 1 485.655 -0.088 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001615889053 1069501132 /nfs/dbraw/zinc/50/11/32/1069501132.db2.gz VWLOCJDIZCILTP-RXVVDRJESA-N 1 1 485.655 -0.088 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001615889054 1069501097 /nfs/dbraw/zinc/50/10/97/1069501097.db2.gz VWLOCJDIZCILTP-WIYYLYMNSA-N 1 1 485.655 -0.088 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001615889060 1069500875 /nfs/dbraw/zinc/50/08/75/1069500875.db2.gz WAOVMNPHUQSRBI-MSOLQXFVSA-N 1 1 482.655 -0.273 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001615889061 1069501114 /nfs/dbraw/zinc/50/11/14/1069501114.db2.gz WAOVMNPHUQSRBI-QZTJIDSGSA-N 1 1 482.655 -0.273 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001615889062 1069501189 /nfs/dbraw/zinc/50/11/89/1069501189.db2.gz WAOVMNPHUQSRBI-ROUUACIJSA-N 1 1 482.655 -0.273 20 0 JBADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001615889063 1069500998 /nfs/dbraw/zinc/50/09/98/1069500998.db2.gz WAOVMNPHUQSRBI-ZWKOTPCHSA-N 1 1 482.655 -0.273 20 0 JBADMO 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/nfs/dbraw/zinc/54/70/17/1069547017.db2.gz GTQMGKPNMOUBBU-OAHLLOKOSA-N 1 1 464.552 -0.662 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617706039 1069547411 /nfs/dbraw/zinc/54/74/11/1069547411.db2.gz JXOADXZUMSLFLB-GOSISDBHSA-N 1 1 483.639 -0.046 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001617706166 1069547440 /nfs/dbraw/zinc/54/74/40/1069547440.db2.gz NQTZBZDFFNNAKF-KRWDZBQOSA-N 1 1 469.612 -0.294 20 0 JBADMO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001617706167 1069547612 /nfs/dbraw/zinc/54/76/12/1069547612.db2.gz NQTZBZDFFNNAKF-QGZVFWFLSA-N 1 1 469.612 -0.294 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001617711685 1069548462 /nfs/dbraw/zinc/54/84/62/1069548462.db2.gz DECMCAKDTFVQJQ-KRWDZBQOSA-N 1 1 496.638 -0.745 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001617711685 1069548458 /nfs/dbraw/zinc/54/84/58/1069548458.db2.gz DECMCAKDTFVQJQ-KRWDZBQOSA-N 1 1 496.638 -0.745 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001617711686 1069548507 /nfs/dbraw/zinc/54/85/07/1069548507.db2.gz DECMCAKDTFVQJQ-QGZVFWFLSA-N 1 1 496.638 -0.745 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001617711686 1069548502 /nfs/dbraw/zinc/54/85/02/1069548502.db2.gz DECMCAKDTFVQJQ-QGZVFWFLSA-N 1 1 496.638 -0.745 20 0 JBADMO CN(c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1CCOCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001617747223 1069550035 /nfs/dbraw/zinc/55/00/35/1069550035.db2.gz CQSFOHLAMJIFJC-KRWDZBQOSA-N 1 1 469.612 -0.188 20 0 JBADMO CN(c1nnc([C@H]2CCC(=O)N2)n1CCC[NH+]1CCOCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001617747224 1069550015 /nfs/dbraw/zinc/55/00/15/1069550015.db2.gz CQSFOHLAMJIFJC-QGZVFWFLSA-N 1 1 469.612 -0.188 20 0 JBADMO CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001617751296 1069549991 /nfs/dbraw/zinc/54/99/91/1069549991.db2.gz SCOJHMISPPSAHZ-CVEARBPZSA-N 1 1 453.613 -0.122 20 0 JBADMO CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001617751297 1069550783 /nfs/dbraw/zinc/55/07/83/1069550783.db2.gz SCOJHMISPPSAHZ-HOTGVXAUSA-N 1 1 453.613 -0.122 20 0 JBADMO CN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001617751298 1069550561 /nfs/dbraw/zinc/55/05/61/1069550561.db2.gz SCOJHMISPPSAHZ-HZPDHXFCSA-N 1 1 453.613 -0.122 20 0 JBADMO CN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001617751299 1069550694 /nfs/dbraw/zinc/55/06/94/1069550694.db2.gz SCOJHMISPPSAHZ-JKSUJKDBSA-N 1 1 453.613 -0.122 20 0 JBADMO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617757602 1069550763 /nfs/dbraw/zinc/55/07/63/1069550763.db2.gz CGWFSVNPYDJGCM-DLBZAZTESA-N 1 1 490.652 -0.280 20 0 JBADMO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617757603 1069550638 /nfs/dbraw/zinc/55/06/38/1069550638.db2.gz CGWFSVNPYDJGCM-IAGOWNOFSA-N 1 1 490.652 -0.280 20 0 JBADMO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617757604 1069550623 /nfs/dbraw/zinc/55/06/23/1069550623.db2.gz CGWFSVNPYDJGCM-IRXDYDNUSA-N 1 1 490.652 -0.280 20 0 JBADMO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617757605 1069551266 /nfs/dbraw/zinc/55/12/66/1069551266.db2.gz CGWFSVNPYDJGCM-SJORKVTESA-N 1 1 490.652 -0.280 20 0 JBADMO CN(c1nnc(CN2CCCC2=O)n1CCC[NH+]1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001617780018 1069552755 /nfs/dbraw/zinc/55/27/55/1069552755.db2.gz IFVFUMVXLXXYQH-INIZCTEOSA-N 1 1 454.597 -0.129 20 0 JBADMO CN(c1nnc(CN2CCCC2=O)n1CCC[NH+]1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617780019 1069552944 /nfs/dbraw/zinc/55/29/44/1069552944.db2.gz IFVFUMVXLXXYQH-MRXNPFEDSA-N 1 1 454.597 -0.129 20 0 JBADMO CN(C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC001617789146 1069553282 /nfs/dbraw/zinc/55/32/82/1069553282.db2.gz NRPGORQFPUPXPO-KRWDZBQOSA-N 1 1 469.612 -0.188 20 0 JBADMO CN(C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC001617789147 1069553334 /nfs/dbraw/zinc/55/33/34/1069553334.db2.gz NRPGORQFPUPXPO-QGZVFWFLSA-N 1 1 469.612 -0.188 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001617798075 1069554291 /nfs/dbraw/zinc/55/42/91/1069554291.db2.gz ANBFFLHMQMNMFO-UHFFFAOYSA-N 1 1 476.626 -0.279 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001617798075 1069554287 /nfs/dbraw/zinc/55/42/87/1069554287.db2.gz ANBFFLHMQMNMFO-UHFFFAOYSA-N 1 1 476.626 -0.279 20 0 JBADMO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001617798075 1069554281 /nfs/dbraw/zinc/55/42/81/1069554281.db2.gz ANBFFLHMQMNMFO-UHFFFAOYSA-N 1 1 476.626 -0.279 20 0 JBADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001617829137 1069554878 /nfs/dbraw/zinc/55/48/78/1069554878.db2.gz XWPRKYRAFZIBRV-JOCHJYFZSA-N 1 1 498.650 -0.142 20 0 JBADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001617829143 1069554823 /nfs/dbraw/zinc/55/48/23/1069554823.db2.gz XWPRKYRAFZIBRV-QFIPXVFZSA-N 1 1 498.650 -0.142 20 0 JBADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001617831048 1069554844 /nfs/dbraw/zinc/55/48/44/1069554844.db2.gz UDBIITNXPZBEJN-KRWDZBQOSA-N 1 1 486.639 -0.070 20 0 JBADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001617831049 1069554752 /nfs/dbraw/zinc/55/47/52/1069554752.db2.gz UDBIITNXPZBEJN-QGZVFWFLSA-N 1 1 486.639 -0.070 20 0 JBADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001617865976 1069554862 /nfs/dbraw/zinc/55/48/62/1069554862.db2.gz GMBMFNMEKOFWTM-INIZCTEOSA-N 1 1 456.540 -0.164 20 0 JBADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001617865977 1069554701 /nfs/dbraw/zinc/55/47/01/1069554701.db2.gz GMBMFNMEKOFWTM-MRXNPFEDSA-N 1 1 456.540 -0.164 20 0 JBADMO CN(CCCNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)S(C)(=O)=O ZINC001617909376 1069554635 /nfs/dbraw/zinc/55/46/35/1069554635.db2.gz AHVYYPLKKVRODS-ZBFHGGJFSA-N 1 1 472.530 -0.068 20 0 JBADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCN3C)c2)CC1 ZINC001618099988 1069556345 /nfs/dbraw/zinc/55/63/45/1069556345.db2.gz QRIDGYSRHIHXAW-JXFKEZNVSA-N 1 1 451.593 -0.097 20 0 JBADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCN3C)c2)CC1 ZINC001618099998 1069556263 /nfs/dbraw/zinc/55/62/63/1069556263.db2.gz QRIDGYSRHIHXAW-OXJNMPFZSA-N 1 1 451.593 -0.097 20 0 JBADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCN3C)c2)CC1 ZINC001618100001 1069556517 /nfs/dbraw/zinc/55/65/17/1069556517.db2.gz QRIDGYSRHIHXAW-OXQOHEQNSA-N 1 1 451.593 -0.097 20 0 JBADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCN3C)c2)CC1 ZINC001618100004 1069556298 /nfs/dbraw/zinc/55/62/98/1069556298.db2.gz QRIDGYSRHIHXAW-UZLBHIALSA-N 1 1 451.593 -0.097 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001618305245 1069558334 /nfs/dbraw/zinc/55/83/34/1069558334.db2.gz ZYFYATDCMGUGNJ-HNNXBMFYSA-N 1 1 450.569 -0.041 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001618305251 1069558312 /nfs/dbraw/zinc/55/83/12/1069558312.db2.gz ZYFYATDCMGUGNJ-OAHLLOKOSA-N 1 1 450.569 -0.041 20 0 JBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001618333698 1069559970 /nfs/dbraw/zinc/55/99/70/1069559970.db2.gz GXTDDTBHLXOBCS-INIZCTEOSA-N 1 1 453.609 -0.229 20 0 JBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001618333699 1069559827 /nfs/dbraw/zinc/55/98/27/1069559827.db2.gz GXTDDTBHLXOBCS-MRXNPFEDSA-N 1 1 453.609 -0.229 20 0 JBADMO NS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC001618363293 1069560805 /nfs/dbraw/zinc/56/08/05/1069560805.db2.gz KZZKLGRDNZGFFW-UHFFFAOYSA-N 1 1 452.577 -0.046 20 0 JBADMO O=C(CNS(=O)(=O)c1cccnc1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001618363437 1069560849 /nfs/dbraw/zinc/56/08/49/1069560849.db2.gz PJVQOISBKWKRSO-UHFFFAOYSA-N 1 1 453.565 -0.563 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)C1 ZINC001618465478 1069563184 /nfs/dbraw/zinc/56/31/84/1069563184.db2.gz FUQPPTCLPZJQRT-BTYIYWSLSA-N 1 1 465.555 -0.411 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)C1 ZINC001618465479 1069563333 /nfs/dbraw/zinc/56/33/33/1069563333.db2.gz FUQPPTCLPZJQRT-QVKFZJNVSA-N 1 1 465.555 -0.411 20 0 JBADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)C1 ZINC001618465480 1069563276 /nfs/dbraw/zinc/56/32/76/1069563276.db2.gz FUQPPTCLPZJQRT-VFNWGFHPSA-N 1 1 465.555 -0.411 20 0 JBADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)C1 ZINC001618465481 1069563146 /nfs/dbraw/zinc/56/31/46/1069563146.db2.gz FUQPPTCLPZJQRT-YCRPNKLZSA-N 1 1 465.555 -0.411 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466864 1069563126 /nfs/dbraw/zinc/56/31/26/1069563126.db2.gz CMKQCVPTKPSTRY-FQEVSTJZSA-N 1 1 466.564 -0.232 20 0 JBADMO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618466865 1069563256 /nfs/dbraw/zinc/56/32/56/1069563256.db2.gz CMKQCVPTKPSTRY-HXUWFJFHSA-N 1 1 466.564 -0.232 20 0 JBADMO CN(CCC(F)F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618466986 1069563235 /nfs/dbraw/zinc/56/32/35/1069563235.db2.gz POSVBJJYFFZICO-CXAGYDPISA-N 1 1 452.528 -0.231 20 0 JBADMO CN(CCC(F)F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466989 1069563208 /nfs/dbraw/zinc/56/32/08/1069563208.db2.gz POSVBJJYFFZICO-DYVFJYSZSA-N 1 1 452.528 -0.231 20 0 JBADMO CN(CCC(F)F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466991 1069563357 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AJSZAFZOHIGBRN-KRWDZBQOSA-N 1 1 464.596 -0.045 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)CC1 ZINC001618473413 1069564343 /nfs/dbraw/zinc/56/43/43/1069564343.db2.gz AJSZAFZOHIGBRN-QGZVFWFLSA-N 1 1 464.596 -0.045 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCS(C)(=O)=O)cn1 ZINC001618474286 1069564533 /nfs/dbraw/zinc/56/45/33/1069564533.db2.gz DIYCTMFXTYTCKR-INIZCTEOSA-N 1 1 450.569 -0.534 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCS(C)(=O)=O)cn1 ZINC001618474288 1069564455 /nfs/dbraw/zinc/56/44/55/1069564455.db2.gz DIYCTMFXTYTCKR-MRXNPFEDSA-N 1 1 450.569 -0.534 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001618474800 1069564298 /nfs/dbraw/zinc/56/42/98/1069564298.db2.gz IULHDCBHAXLDBQ-MSOLQXFVSA-N 1 1 483.639 -0.194 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001618474801 1069564570 /nfs/dbraw/zinc/56/45/70/1069564570.db2.gz IULHDCBHAXLDBQ-QZTJIDSGSA-N 1 1 483.639 -0.194 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001618474802 1069564420 /nfs/dbraw/zinc/56/44/20/1069564420.db2.gz IULHDCBHAXLDBQ-ROUUACIJSA-N 1 1 483.639 -0.194 20 0 JBADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001618474803 1069564225 /nfs/dbraw/zinc/56/42/25/1069564225.db2.gz IULHDCBHAXLDBQ-ZWKOTPCHSA-N 1 1 483.639 -0.194 20 0 JBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccccn3)n2CCNS(C)(=O)=O)CC1 ZINC001618476086 1069564367 /nfs/dbraw/zinc/56/43/67/1069564367.db2.gz UVVWYVRDEVUWSH-KRWDZBQOSA-N 1 1 462.580 -0.368 20 0 JBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccccn3)n2CCNS(C)(=O)=O)CC1 ZINC001618476092 1069564495 /nfs/dbraw/zinc/56/44/95/1069564495.db2.gz UVVWYVRDEVUWSH-QGZVFWFLSA-N 1 1 462.580 -0.368 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001618487375 1069567023 /nfs/dbraw/zinc/56/70/23/1069567023.db2.gz CDKUMGRPXVFTLT-INIZCTEOSA-N 1 1 474.653 -0.559 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001618487376 1069567087 /nfs/dbraw/zinc/56/70/87/1069567087.db2.gz CDKUMGRPXVFTLT-MRXNPFEDSA-N 1 1 474.653 -0.559 20 0 JBADMO CN1CC[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489179 1069567135 /nfs/dbraw/zinc/56/71/35/1069567135.db2.gz TUFORYFURBHWAY-KRWDZBQOSA-N 1 1 462.599 -0.274 20 0 JBADMO CN1CC[N@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489179 1069567128 /nfs/dbraw/zinc/56/71/28/1069567128.db2.gz TUFORYFURBHWAY-KRWDZBQOSA-N 1 1 462.599 -0.274 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489179 1069567119 /nfs/dbraw/zinc/56/71/19/1069567119.db2.gz TUFORYFURBHWAY-KRWDZBQOSA-N 1 1 462.599 -0.274 20 0 JBADMO CN1CC[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489180 1069567428 /nfs/dbraw/zinc/56/74/28/1069567428.db2.gz TUFORYFURBHWAY-QGZVFWFLSA-N 1 1 462.599 -0.274 20 0 JBADMO CN1CC[N@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489180 1069567416 /nfs/dbraw/zinc/56/74/16/1069567416.db2.gz TUFORYFURBHWAY-QGZVFWFLSA-N 1 1 462.599 -0.274 20 0 JBADMO C[N@H+]1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489180 1069567412 /nfs/dbraw/zinc/56/74/12/1069567412.db2.gz TUFORYFURBHWAY-QGZVFWFLSA-N 1 1 462.599 -0.274 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001618489447 1069567582 /nfs/dbraw/zinc/56/75/82/1069567582.db2.gz ULGKHTJDNJJSOR-UHFFFAOYSA-N 1 1 465.628 -0.214 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001618489447 1069567566 /nfs/dbraw/zinc/56/75/66/1069567566.db2.gz ULGKHTJDNJJSOR-UHFFFAOYSA-N 1 1 465.628 -0.214 20 0 JBADMO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC001618489447 1069567551 /nfs/dbraw/zinc/56/75/51/1069567551.db2.gz ULGKHTJDNJJSOR-UHFFFAOYSA-N 1 1 465.628 -0.214 20 0 JBADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]2C1 ZINC001618501320 1069568314 /nfs/dbraw/zinc/56/83/14/1069568314.db2.gz UCVNBOOXICORMF-IJEWVQPXSA-N 1 1 452.533 -0.610 20 0 JBADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]2C1 ZINC001618501322 1069568029 /nfs/dbraw/zinc/56/80/29/1069568029.db2.gz UCVNBOOXICORMF-LZWOXQAQSA-N 1 1 452.533 -0.610 20 0 JBADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@H+](CCO)C[C@@H]3C)CC2)c1 ZINC001618504380 1069568081 /nfs/dbraw/zinc/56/80/81/1069568081.db2.gz SKWBIRLHFQSIBE-KRWDZBQOSA-N 1 1 452.577 -0.280 20 0 JBADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@@H+](CCO)C[C@@H]3C)CC2)c1 ZINC001618504380 1069568069 /nfs/dbraw/zinc/56/80/69/1069568069.db2.gz SKWBIRLHFQSIBE-KRWDZBQOSA-N 1 1 452.577 -0.280 20 0 JBADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@H+](CCO)C[C@H]3C)CC2)c1 ZINC001618504382 1069568263 /nfs/dbraw/zinc/56/82/63/1069568263.db2.gz 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/nfs/dbraw/zinc/58/92/47/1069589247.db2.gz YBRRBRHDMFSPIG-INIZCTEOSA-N 1 1 455.585 -0.636 20 0 JBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001618839321 1069589333 /nfs/dbraw/zinc/58/93/33/1069589333.db2.gz YBRRBRHDMFSPIG-MRXNPFEDSA-N 1 1 455.585 -0.636 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001618842600 1069590583 /nfs/dbraw/zinc/59/05/83/1069590583.db2.gz YQRNAVKKQBPZQJ-APWZRJJASA-N 1 1 476.607 -0.122 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001618842601 1069590412 /nfs/dbraw/zinc/59/04/12/1069590412.db2.gz YQRNAVKKQBPZQJ-LPHOPBHVSA-N 1 1 476.607 -0.122 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001618842602 1069590305 /nfs/dbraw/zinc/59/03/05/1069590305.db2.gz YQRNAVKKQBPZQJ-QFBILLFUSA-N 1 1 476.607 -0.122 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001618842603 1069590532 /nfs/dbraw/zinc/59/05/32/1069590532.db2.gz YQRNAVKKQBPZQJ-VQIMIIECSA-N 1 1 476.607 -0.122 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001618843074 1069591074 /nfs/dbraw/zinc/59/10/74/1069591074.db2.gz PZAWLQRNUCGZPB-INIZCTEOSA-N 1 1 450.569 -0.167 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001618843126 1069591211 /nfs/dbraw/zinc/59/12/11/1069591211.db2.gz RIMYQXLZSLHSJC-UHFFFAOYSA-N 1 1 464.596 -0.043 20 0 JBADMO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001618843126 1069591203 /nfs/dbraw/zinc/59/12/03/1069591203.db2.gz RIMYQXLZSLHSJC-UHFFFAOYSA-N 1 1 464.596 -0.043 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001618843940 1069591001 /nfs/dbraw/zinc/59/10/01/1069591001.db2.gz OSGGBJDUDALEOZ-GDBMZVCRSA-N 1 1 455.585 -0.532 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001618843941 1069591111 /nfs/dbraw/zinc/59/11/11/1069591111.db2.gz OSGGBJDUDALEOZ-ZBFHGGJFSA-N 1 1 455.585 -0.532 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001618844949 1069592356 /nfs/dbraw/zinc/59/23/56/1069592356.db2.gz PNZZJUQCXATDHA-CVEARBPZSA-N 1 1 490.652 -0.581 20 0 JBADMO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001618844949 1069592342 /nfs/dbraw/zinc/59/23/42/1069592342.db2.gz PNZZJUQCXATDHA-CVEARBPZSA-N 1 1 490.652 -0.581 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001618844950 1069592447 /nfs/dbraw/zinc/59/24/47/1069592447.db2.gz PNZZJUQCXATDHA-HZPDHXFCSA-N 1 1 490.652 -0.581 20 0 JBADMO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001618844950 1069592425 /nfs/dbraw/zinc/59/24/25/1069592425.db2.gz PNZZJUQCXATDHA-HZPDHXFCSA-N 1 1 490.652 -0.581 20 0 JBADMO CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001618846377 1069594154 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COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1=O ZINC001638308631 1069801426 /nfs/dbraw/zinc/80/14/26/1069801426.db2.gz CCWIPHQXHNTPFW-MRXNPFEDSA-N 1 1 455.556 -0.639 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1=O ZINC001638309214 1069800935 /nfs/dbraw/zinc/80/09/35/1069800935.db2.gz UGLSVNXLRSMAJL-HNNXBMFYSA-N 1 1 458.537 -0.791 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1=O ZINC001638309215 1069801367 /nfs/dbraw/zinc/80/13/67/1069801367.db2.gz UGLSVNXLRSMAJL-OAHLLOKOSA-N 1 1 458.537 -0.791 20 0 JBADMO CC(C)(C)OC(=O)N1CC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)(C(N)=O)C1 ZINC001638568987 1069802877 /nfs/dbraw/zinc/80/28/77/1069802877.db2.gz OWCDZPBEOPSQDD-HNNXBMFYSA-N 1 1 453.540 -0.709 20 0 JBADMO CC(C)(C)OC(=O)N1CC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)(C(N)=O)C1 ZINC001638568988 1069803525 /nfs/dbraw/zinc/80/35/25/1069803525.db2.gz OWCDZPBEOPSQDD-OAHLLOKOSA-N 1 1 453.540 -0.709 20 0 JBADMO COC(=O)[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+](C)C1 ZINC001638854303 1069803974 /nfs/dbraw/zinc/80/39/74/1069803974.db2.gz UNOMKJLYVSUQCC-CABCVRRESA-N 1 1 453.540 -0.047 20 0 JBADMO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+](C)C1 ZINC001638854304 1069803885 /nfs/dbraw/zinc/80/38/85/1069803885.db2.gz UNOMKJLYVSUQCC-GJZGRUSLSA-N 1 1 453.540 -0.047 20 0 JBADMO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+](C)C1 ZINC001638854305 1069804179 /nfs/dbraw/zinc/80/41/79/1069804179.db2.gz UNOMKJLYVSUQCC-HUUCEWRRSA-N 1 1 453.540 -0.047 20 0 JBADMO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+](C)C1 ZINC001638854306 1069804458 /nfs/dbraw/zinc/80/44/58/1069804458.db2.gz UNOMKJLYVSUQCC-LSDHHAIUSA-N 1 1 453.540 -0.047 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001640191346 1069810464 /nfs/dbraw/zinc/81/04/64/1069810464.db2.gz FLIQGAGGLMWLEA-BQFCYCMXSA-N 1 1 459.590 -0.564 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001640191346 1069810425 /nfs/dbraw/zinc/81/04/25/1069810425.db2.gz FLIQGAGGLMWLEA-BQFCYCMXSA-N 1 1 459.590 -0.564 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001640191347 1069810060 /nfs/dbraw/zinc/81/00/60/1069810060.db2.gz FLIQGAGGLMWLEA-JZXOWHBKSA-N 1 1 459.590 -0.564 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001640191347 1069810023 /nfs/dbraw/zinc/81/00/23/1069810023.db2.gz FLIQGAGGLMWLEA-JZXOWHBKSA-N 1 1 459.590 -0.564 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001640191348 1069810675 /nfs/dbraw/zinc/81/06/75/1069810675.db2.gz FLIQGAGGLMWLEA-NUJGCVRESA-N 1 1 459.590 -0.564 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001640191348 1069810647 /nfs/dbraw/zinc/81/06/47/1069810647.db2.gz FLIQGAGGLMWLEA-NUJGCVRESA-N 1 1 459.590 -0.564 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001640191349 1069810147 /nfs/dbraw/zinc/81/01/47/1069810147.db2.gz FLIQGAGGLMWLEA-RYRKJORJSA-N 1 1 459.590 -0.564 20 0 JBADMO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001640191349 1069810118 /nfs/dbraw/zinc/81/01/18/1069810118.db2.gz FLIQGAGGLMWLEA-RYRKJORJSA-N 1 1 459.590 -0.564 20 0 JBADMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC001640576219 1069812601 /nfs/dbraw/zinc/81/26/01/1069812601.db2.gz JJQHNCJPZKHHNT-HLLBOEOZSA-N 1 1 466.560 -0.220 20 0 JBADMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC001640576220 1069812957 /nfs/dbraw/zinc/81/29/57/1069812957.db2.gz JJQHNCJPZKHHNT-VYDXJSESSA-N 1 1 466.560 -0.220 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606455 1069812781 /nfs/dbraw/zinc/81/27/81/1069812781.db2.gz FODBPXIYMCDKJW-CFGKVWFZSA-N 1 1 453.543 -0.011 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606465 1069813010 /nfs/dbraw/zinc/81/30/10/1069813010.db2.gz FODBPXIYMCDKJW-CTDFXDFQSA-N 1 1 453.543 -0.011 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606467 1069812732 /nfs/dbraw/zinc/81/27/32/1069812732.db2.gz FODBPXIYMCDKJW-JPMGXVIASA-N 1 1 453.543 -0.011 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606545 1069812555 /nfs/dbraw/zinc/81/25/55/1069812555.db2.gz FODBPXIYMCDKJW-PISNEZEASA-N 1 1 453.543 -0.011 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001640607387 1069812917 /nfs/dbraw/zinc/81/29/17/1069812917.db2.gz ULSXLBXARDZYFM-MSOLQXFVSA-N 1 1 455.519 -0.108 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001640607388 1069812651 /nfs/dbraw/zinc/81/26/51/1069812651.db2.gz ULSXLBXARDZYFM-QZTJIDSGSA-N 1 1 455.519 -0.108 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001640607389 1069813224 /nfs/dbraw/zinc/81/32/24/1069813224.db2.gz ULSXLBXARDZYFM-ROUUACIJSA-N 1 1 455.519 -0.108 20 0 JBADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001640607390 1069813174 /nfs/dbraw/zinc/81/31/74/1069813174.db2.gz ULSXLBXARDZYFM-ZWKOTPCHSA-N 1 1 455.519 -0.108 20 0 JBADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC001640611652 1069812486 /nfs/dbraw/zinc/81/24/86/1069812486.db2.gz GQUUIQRZCXOQAY-MJGOQNOKSA-N 1 1 459.540 -0.245 20 0 JBADMO COCC[NH+](CCOC)C1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC001640612321 1069812878 /nfs/dbraw/zinc/81/28/78/1069812878.db2.gz VDSVIFBCJHDIOZ-UHFFFAOYSA-N 1 1 454.549 -0.774 20 0 JBADMO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1OC ZINC001640789872 1069814122 /nfs/dbraw/zinc/81/41/22/1069814122.db2.gz AJGLWFQUUUBXNS-OAHLLOKOSA-N 1 1 455.533 -0.384 20 0 JBADMO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1OC ZINC001640789872 1069814094 /nfs/dbraw/zinc/81/40/94/1069814094.db2.gz AJGLWFQUUUBXNS-OAHLLOKOSA-N 1 1 455.533 -0.384 20 0 JBADMO NS(=O)(=O)c1ccc(OCCSCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001640792202 1069813723 /nfs/dbraw/zinc/81/37/23/1069813723.db2.gz KUWSVLZHVVBBIA-HNAYVOBHSA-N 1 1 459.590 -0.212 20 0 JBADMO NS(=O)(=O)c1ccc(OCCSCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001640792202 1069813705 /nfs/dbraw/zinc/81/37/05/1069813705.db2.gz KUWSVLZHVVBBIA-HNAYVOBHSA-N 1 1 459.590 -0.212 20 0 JBADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001640817916 1069814697 /nfs/dbraw/zinc/81/46/97/1069814697.db2.gz LEZVMLVHNQRKAE-UHFFFAOYSA-N 1 1 453.565 -0.663 20 0 JBADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001640818065 1069814394 /nfs/dbraw/zinc/81/43/94/1069814394.db2.gz NSRSKWRDCDDXEW-BZUAXINKSA-N 1 1 458.581 -0.453 20 0 JBADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001640818066 1069814523 /nfs/dbraw/zinc/81/45/23/1069814523.db2.gz NSRSKWRDCDDXEW-OAGGEKHMSA-N 1 1 458.581 -0.453 20 0 JBADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 ZINC001640818067 1069814782 /nfs/dbraw/zinc/81/47/82/1069814782.db2.gz NSRSKWRDCDDXEW-OWCLPIDISA-N 1 1 458.581 -0.453 20 0 JBADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001640818068 1069814359 /nfs/dbraw/zinc/81/43/59/1069814359.db2.gz NSRSKWRDCDDXEW-PMPSAXMXSA-N 1 1 458.581 -0.453 20 0 JBADMO O=C(CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001641006336 1069815339 /nfs/dbraw/zinc/81/53/39/1069815339.db2.gz XSNMSFUOVDNTQR-UHFFFAOYSA-N 1 1 457.531 -0.156 20 0 JBADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN3C(=O)N[C@@H](CCS(N)(=O)=O)C3=O)CC2)cc1 ZINC001641151960 1069815876 /nfs/dbraw/zinc/81/58/76/1069815876.db2.gz LUBBJTWVGLSHFX-KRWDZBQOSA-N 1 1 451.549 -0.372 20 0 JBADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN3C(=O)N[C@H](CCS(N)(=O)=O)C3=O)CC2)cc1 ZINC001641151961 1069816200 /nfs/dbraw/zinc/81/62/00/1069816200.db2.gz LUBBJTWVGLSHFX-QGZVFWFLSA-N 1 1 451.549 -0.372 20 0 JBADMO Cn1c(=O)ccn(CC(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1=O ZINC001641462511 1069817754 /nfs/dbraw/zinc/81/77/54/1069817754.db2.gz XKKCWIOMTWREAW-UHFFFAOYSA-N 1 1 454.531 -0.371 20 0 JBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001641603145 1069819339 /nfs/dbraw/zinc/81/93/39/1069819339.db2.gz QALCBAILRWXJQK-HNNXBMFYSA-N 1 1 453.517 -0.214 20 0 JBADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001641603146 1069819503 /nfs/dbraw/zinc/81/95/03/1069819503.db2.gz QALCBAILRWXJQK-OAHLLOKOSA-N 1 1 453.517 -0.214 20 0 JBADMO CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C[C@H](O)C[NH+]1CCOCC1 ZINC001641984696 1069822805 /nfs/dbraw/zinc/82/28/05/1069822805.db2.gz NCXBQULHDBJNMO-KRWDZBQOSA-N 1 1 453.565 -0.279 20 0 JBADMO CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C[C@@H](O)C[NH+]1CCOCC1 ZINC001641984697 1069822378 /nfs/dbraw/zinc/82/23/78/1069822378.db2.gz NCXBQULHDBJNMO-QGZVFWFLSA-N 1 1 453.565 -0.279 20 0 JBADMO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC001641984866 1069822541 /nfs/dbraw/zinc/82/25/41/1069822541.db2.gz RCGQSMIQTFSKME-GOSISDBHSA-N 1 1 456.565 -0.729 20 0 JBADMO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H](O)C[NH+]1CCOCC1 ZINC001641984867 1069823120 /nfs/dbraw/zinc/82/31/20/1069823120.db2.gz RCGQSMIQTFSKME-SFHVURJKSA-N 1 1 456.565 -0.729 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1=O ZINC001642000391 1069822661 /nfs/dbraw/zinc/82/26/61/1069822661.db2.gz HVKWQPFWNSDLND-CVEARBPZSA-N 1 1 455.556 -0.641 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1=O ZINC001642000392 1069822448 /nfs/dbraw/zinc/82/24/48/1069822448.db2.gz HVKWQPFWNSDLND-HOTGVXAUSA-N 1 1 455.556 -0.641 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1=O ZINC001642000393 1069822852 /nfs/dbraw/zinc/82/28/52/1069822852.db2.gz HVKWQPFWNSDLND-HZPDHXFCSA-N 1 1 455.556 -0.641 20 0 JBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1=O ZINC001642000394 1069822936 /nfs/dbraw/zinc/82/29/36/1069822936.db2.gz HVKWQPFWNSDLND-JKSUJKDBSA-N 1 1 455.556 -0.641 20 0 JBADMO O=C(CN1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001642102101 1069824157 /nfs/dbraw/zinc/82/41/57/1069824157.db2.gz GFNWDXJMIJYDBO-NRFANRHFSA-N 1 1 450.605 -0.060 20 0 JBADMO O=C(CN1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001642102102 1069824437 /nfs/dbraw/zinc/82/44/37/1069824437.db2.gz GFNWDXJMIJYDBO-OAQYLSRUSA-N 1 1 450.605 -0.060 20 0 JBADMO O=C(CN1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001642102401 1069824712 /nfs/dbraw/zinc/82/47/12/1069824712.db2.gz OMQDDFMDSXEAEL-IFMALSPDSA-N 1 1 450.605 -0.456 20 0 JBADMO O=C(CN1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001642102402 1069824579 /nfs/dbraw/zinc/82/45/79/1069824579.db2.gz OMQDDFMDSXEAEL-IRLDBZIGSA-N 1 1 450.605 -0.456 20 0 JBADMO O=C(CN1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001642102403 1069824354 /nfs/dbraw/zinc/82/43/54/1069824354.db2.gz OMQDDFMDSXEAEL-RBBKRZOGSA-N 1 1 450.605 -0.456 20 0 JBADMO O=C(CN1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001642102404 1069824232 /nfs/dbraw/zinc/82/42/32/1069824232.db2.gz OMQDDFMDSXEAEL-UNMCSNQZSA-N 1 1 450.605 -0.456 20 0 JBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001642210638 1069825289 /nfs/dbraw/zinc/82/52/89/1069825289.db2.gz BUDIREHZPHFMCL-BSDSXHPESA-N 1 1 453.561 -0.239 20 0 JBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001642210639 1069825633 /nfs/dbraw/zinc/82/56/33/1069825633.db2.gz BUDIREHZPHFMCL-FJIDUMEYSA-N 1 1 453.561 -0.239 20 0 JBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001642210640 1069825482 /nfs/dbraw/zinc/82/54/82/1069825482.db2.gz BUDIREHZPHFMCL-MLHJIOFPSA-N 1 1 453.561 -0.239 20 0 JBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001642210641 1069825028 /nfs/dbraw/zinc/82/50/28/1069825028.db2.gz BUDIREHZPHFMCL-WNRNVDISSA-N 1 1 453.561 -0.239 20 0 JBADMO NC(=O)CC[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)N1C(=O)c2ccccc2C1=O ZINC001642330753 1069826502 /nfs/dbraw/zinc/82/65/02/1069826502.db2.gz GNQRUHDLZHWBEQ-GOSISDBHSA-N 1 1 458.515 -0.086 20 0 JBADMO NC(=O)CC[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)N1C(=O)c2ccccc2C1=O ZINC001642330754 1069826384 /nfs/dbraw/zinc/82/63/84/1069826384.db2.gz GNQRUHDLZHWBEQ-SFHVURJKSA-N 1 1 458.515 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